USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 175:sc= -0.108 (180deg=-0.147) USER MOD Single : A 2 SER OG : rot -78:sc= 0.555 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00809 USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= -0.197 (180deg=-0.893) USER MOD Single : A 7 CYS SG : rot -65:sc= -0.0573 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -173:sc= -1.51! USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.029) USER MOD Single : A 18 GLN :FLIP amide:sc=-0.00199 F(o=-1.8!,f=-0.002) USER MOD Single : A 24 THR OG1 : rot -49:sc= 0.461 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -19:sc= 0.728! USER MOD Single : A 32 GLN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0678 F(o=-1.6!,f=-0.068) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.509 (180deg=-1.03) USER MOD Single : A 37 GLN : amide:sc= -8.27! C(o=-8.3!,f=-13!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.191 (180deg=-1.03) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.6) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.8!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 167:sc= 0 (180deg=-0.353) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.65 F(o=-3.7!,f=-1.7) USER MOD Single : A 69 HIS : no HD1:sc= -0.224 K(o=-0.22,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.399 -15.232 -23.759 1.00 32.11 N ATOM 2 CA GLY A 1 -14.244 -14.571 -24.434 1.00 31.00 C ATOM 3 C GLY A 1 -14.157 -13.097 -24.025 1.00 29.36 C ATOM 4 O GLY A 1 -13.409 -12.337 -24.606 1.00 29.77 O ATOM 0 H1 GLY A 1 -15.496 -16.206 -24.111 1.00 32.11 H new ATOM 0 H2 GLY A 1 -15.237 -15.249 -22.732 1.00 32.11 H new ATOM 0 H3 GLY A 1 -16.270 -14.702 -23.964 1.00 32.11 H new ATOM 0 HA2 GLY A 1 -13.319 -15.083 -24.170 1.00 31.00 H new ATOM 0 HA3 GLY A 1 -14.354 -14.649 -25.516 1.00 31.00 H new ATOM 10 N SER A 2 -14.922 -12.721 -23.034 1.00 27.59 N ATOM 11 CA SER A 2 -14.883 -11.301 -22.591 1.00 26.07 C ATOM 12 C SER A 2 -15.430 -11.128 -21.167 1.00 23.98 C ATOM 13 O SER A 2 -16.431 -10.470 -20.964 1.00 23.33 O ATOM 14 CB SER A 2 -15.756 -10.480 -23.547 1.00 27.00 C ATOM 15 OG SER A 2 -15.627 -9.145 -23.076 1.00 27.54 O ATOM 0 H SER A 2 -15.562 -13.327 -22.520 1.00 27.59 H new ATOM 0 HA SER A 2 -13.845 -10.967 -22.598 1.00 26.07 H new ATOM 0 HB2 SER A 2 -15.415 -10.574 -24.578 1.00 27.00 H new ATOM 0 HB3 SER A 2 -16.794 -10.812 -23.524 1.00 27.00 H new ATOM 0 HG SER A 2 -16.192 -9.021 -22.285 1.00 27.54 H new ATOM 21 N PRO A 3 -14.763 -11.726 -20.204 1.00 23.19 N ATOM 22 CA PRO A 3 -15.191 -11.631 -18.798 1.00 21.35 C ATOM 23 C PRO A 3 -15.239 -10.175 -18.323 1.00 19.87 C ATOM 24 O PRO A 3 -14.775 -9.282 -19.003 1.00 20.20 O ATOM 25 CB PRO A 3 -14.117 -12.400 -18.008 1.00 21.32 C ATOM 26 CG PRO A 3 -13.091 -12.960 -19.026 1.00 23.23 C ATOM 27 CD PRO A 3 -13.548 -12.538 -20.432 1.00 24.35 C ATOM 0 HA PRO A 3 -16.194 -12.036 -18.660 1.00 21.35 H new ATOM 0 HB2 PRO A 3 -13.625 -11.742 -17.292 1.00 21.32 H new ATOM 0 HB3 PRO A 3 -14.570 -13.210 -17.437 1.00 21.32 H new ATOM 0 HG2 PRO A 3 -12.094 -12.573 -18.816 1.00 23.23 H new ATOM 0 HG3 PRO A 3 -13.033 -14.046 -18.953 1.00 23.23 H new ATOM 0 HD2 PRO A 3 -12.777 -11.962 -20.943 1.00 24.35 H new ATOM 0 HD3 PRO A 3 -13.763 -13.406 -21.056 1.00 24.35 H new ATOM 35 N THR A 4 -15.800 -9.965 -17.161 1.00 18.43 N ATOM 36 CA THR A 4 -15.888 -8.577 -16.627 1.00 17.33 C ATOM 37 C THR A 4 -14.515 -7.912 -16.596 1.00 14.45 C ATOM 38 O THR A 4 -13.561 -8.421 -17.152 1.00 13.58 O ATOM 39 CB THR A 4 -16.420 -8.640 -15.192 1.00 17.73 C ATOM 40 OG1 THR A 4 -15.686 -9.677 -14.566 1.00 17.34 O ATOM 41 CG2 THR A 4 -17.874 -9.122 -15.161 1.00 20.66 C ATOM 0 H THR A 4 -16.198 -10.690 -16.564 1.00 18.43 H new ATOM 0 HA THR A 4 -16.548 -7.998 -17.273 1.00 17.33 H new ATOM 0 HB THR A 4 -16.338 -7.657 -14.728 1.00 17.73 H new ATOM 0 HG1 THR A 4 -15.979 -9.769 -13.635 1.00 17.34 H new ATOM 0 HG21 THR A 4 -18.224 -9.156 -14.129 1.00 20.66 H new ATOM 0 HG22 THR A 4 -18.497 -8.435 -15.733 1.00 20.66 H new ATOM 0 HG23 THR A 4 -17.936 -10.118 -15.599 1.00 20.66 H new ATOM 49 N PHE A 5 -14.446 -6.785 -15.946 1.00 13.39 N ATOM 50 CA PHE A 5 -13.151 -6.069 -15.864 1.00 10.59 C ATOM 51 C PHE A 5 -12.112 -6.921 -15.144 1.00 8.84 C ATOM 52 O PHE A 5 -12.243 -8.127 -15.061 1.00 9.69 O ATOM 53 CB PHE A 5 -13.364 -4.776 -15.063 1.00 10.56 C ATOM 54 CG PHE A 5 -14.842 -4.380 -15.116 1.00 11.19 C ATOM 55 CD1 PHE A 5 -15.394 -3.887 -16.285 1.00 10.62 C ATOM 56 CD2 PHE A 5 -15.644 -4.506 -13.995 1.00 12.50 C ATOM 57 CE1 PHE A 5 -16.725 -3.528 -16.332 1.00 11.19 C ATOM 58 CE2 PHE A 5 -16.975 -4.146 -14.043 1.00 13.18 C ATOM 59 CZ PHE A 5 -17.516 -3.658 -15.213 1.00 12.46 C ATOM 0 H PHE A 5 -15.228 -6.333 -15.471 1.00 13.39 H new ATOM 0 HA PHE A 5 -12.796 -5.854 -16.872 1.00 10.59 H new ATOM 0 HB2 PHE A 5 -13.052 -4.921 -14.029 1.00 10.56 H new ATOM 0 HB3 PHE A 5 -12.747 -3.976 -15.473 1.00 10.56 H new ATOM 0 HD1 PHE A 5 -14.779 -3.783 -17.166 1.00 10.62 H new ATOM 0 HD2 PHE A 5 -15.225 -4.889 -13.076 1.00 12.50 H new ATOM 0 HE1 PHE A 5 -17.147 -3.144 -17.249 1.00 11.19 H new ATOM 0 HE2 PHE A 5 -17.593 -4.247 -13.163 1.00 13.18 H new ATOM 0 HZ PHE A 5 -18.558 -3.378 -15.252 1.00 12.46 H new ATOM 69 N LYS A 6 -11.100 -6.271 -14.638 1.00 6.55 N ATOM 70 CA LYS A 6 -10.030 -7.007 -13.914 1.00 4.74 C ATOM 71 C LYS A 6 -9.724 -6.302 -12.599 1.00 3.46 C ATOM 72 O LYS A 6 -10.066 -5.148 -12.422 1.00 3.92 O ATOM 73 CB LYS A 6 -8.773 -7.011 -14.792 1.00 4.55 C ATOM 74 CG LYS A 6 -8.118 -5.622 -14.732 1.00 4.29 C ATOM 75 CD LYS A 6 -7.152 -5.425 -15.911 1.00 3.72 C ATOM 76 CE LYS A 6 -5.722 -5.343 -15.377 1.00 3.46 C ATOM 77 NZ LYS A 6 -5.580 -4.191 -14.444 1.00 5.49 N ATOM 0 H LYS A 6 -10.969 -5.261 -14.696 1.00 6.55 H new ATOM 0 HA LYS A 6 -10.352 -8.027 -13.704 1.00 4.74 H new ATOM 0 HB2 LYS A 6 -8.074 -7.772 -14.446 1.00 4.55 H new ATOM 0 HB3 LYS A 6 -9.033 -7.261 -15.821 1.00 4.55 H new ATOM 0 HG2 LYS A 6 -8.888 -4.850 -14.753 1.00 4.29 H new ATOM 0 HG3 LYS A 6 -7.579 -5.509 -13.791 1.00 4.29 H new ATOM 0 HD2 LYS A 6 -7.244 -6.252 -16.615 1.00 3.72 H new ATOM 0 HD3 LYS A 6 -7.403 -4.514 -16.455 1.00 3.72 H new ATOM 0 HE2 LYS A 6 -5.466 -6.269 -14.863 1.00 3.46 H new ATOM 0 HE3 LYS A 6 -5.023 -5.235 -16.207 1.00 3.46 H new ATOM 0 HZ1 LYS A 6 -4.638 -3.766 -14.558 1.00 5.49 H new ATOM 0 HZ2 LYS A 6 -6.309 -3.480 -14.657 1.00 5.49 H new ATOM 0 HZ3 LYS A 6 -5.694 -4.521 -13.465 1.00 5.49 H new ATOM 91 N CYS A 7 -9.089 -6.994 -11.696 1.00 2.08 N ATOM 92 CA CYS A 7 -8.770 -6.346 -10.398 1.00 1.16 C ATOM 93 C CYS A 7 -7.816 -7.191 -9.567 1.00 0.88 C ATOM 94 O CYS A 7 -7.790 -8.400 -9.674 1.00 1.03 O ATOM 95 CB CYS A 7 -10.075 -6.195 -9.611 1.00 2.47 C ATOM 96 SG CYS A 7 -10.026 -5.218 -8.088 1.00 3.24 S ATOM 0 H CYS A 7 -8.783 -7.962 -11.798 1.00 2.08 H new ATOM 0 HA CYS A 7 -8.297 -5.385 -10.598 1.00 1.16 H new ATOM 0 HB2 CYS A 7 -10.817 -5.748 -10.273 1.00 2.47 H new ATOM 0 HB3 CYS A 7 -10.433 -7.193 -9.359 1.00 2.47 H new ATOM 0 HG CYS A 7 -9.265 -5.811 -7.217 1.00 3.24 H new ATOM 102 N ALA A 8 -7.049 -6.529 -8.750 1.00 0.50 N ATOM 103 CA ALA A 8 -6.090 -7.265 -7.897 1.00 0.27 C ATOM 104 C ALA A 8 -6.747 -7.577 -6.558 1.00 0.17 C ATOM 105 O ALA A 8 -7.892 -7.235 -6.342 1.00 0.35 O ATOM 106 CB ALA A 8 -4.864 -6.375 -7.658 1.00 0.31 C ATOM 0 H ALA A 8 -7.047 -5.515 -8.639 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.792 -8.193 -8.384 1.00 0.27 H new ATOM 0 HB1 ALA A 8 -4.147 -6.904 -7.030 1.00 0.31 H new ATOM 0 HB2 ALA A 8 -4.399 -6.132 -8.613 1.00 0.31 H new ATOM 0 HB3 ALA A 8 -5.173 -5.456 -7.160 1.00 0.31 H new ATOM 112 N VAL A 9 -6.027 -8.229 -5.690 1.00 0.20 N ATOM 113 CA VAL A 9 -6.605 -8.561 -4.372 1.00 0.41 C ATOM 114 C VAL A 9 -5.541 -8.430 -3.294 1.00 0.42 C ATOM 115 O VAL A 9 -4.380 -8.253 -3.582 1.00 0.55 O ATOM 116 CB VAL A 9 -7.167 -10.009 -4.403 1.00 0.56 C ATOM 117 CG1 VAL A 9 -7.301 -10.486 -5.854 1.00 0.79 C ATOM 118 CG2 VAL A 9 -6.248 -10.983 -3.648 1.00 0.40 C ATOM 0 H VAL A 9 -5.068 -8.543 -5.840 1.00 0.20 H new ATOM 0 HA VAL A 9 -7.417 -7.870 -4.146 1.00 0.41 H new ATOM 0 HB VAL A 9 -8.142 -9.995 -3.916 1.00 0.56 H new ATOM 0 HG11 VAL A 9 -7.696 -11.502 -5.868 1.00 0.79 H new ATOM 0 HG12 VAL A 9 -7.980 -9.825 -6.393 1.00 0.79 H new ATOM 0 HG13 VAL A 9 -6.323 -10.470 -6.334 1.00 0.79 H new ATOM 0 HG21 VAL A 9 -6.670 -11.987 -3.689 1.00 0.40 H new ATOM 0 HG22 VAL A 9 -5.261 -10.985 -4.111 1.00 0.40 H new ATOM 0 HG23 VAL A 9 -6.160 -10.668 -2.608 1.00 0.40 H new ATOM 128 N LYS A 10 -5.972 -8.495 -2.078 1.00 0.26 N ATOM 129 CA LYS A 10 -5.032 -8.380 -0.935 1.00 0.25 C ATOM 130 C LYS A 10 -5.387 -9.450 0.104 1.00 0.26 C ATOM 131 O LYS A 10 -6.170 -9.204 1.000 1.00 0.29 O ATOM 132 CB LYS A 10 -5.219 -6.986 -0.320 1.00 0.24 C ATOM 133 CG LYS A 10 -4.205 -6.776 0.816 1.00 0.34 C ATOM 134 CD LYS A 10 -3.250 -5.618 0.475 1.00 1.49 C ATOM 135 CE LYS A 10 -2.569 -5.129 1.755 1.00 0.88 C ATOM 136 NZ LYS A 10 -3.269 -3.928 2.287 1.00 0.72 N ATOM 0 H LYS A 10 -6.950 -8.625 -1.818 1.00 0.26 H new ATOM 0 HA LYS A 10 -4.000 -8.519 -1.257 1.00 0.25 H new ATOM 0 HB2 LYS A 10 -5.086 -6.221 -1.085 1.00 0.24 H new ATOM 0 HB3 LYS A 10 -6.234 -6.881 0.063 1.00 0.24 H new ATOM 0 HG2 LYS A 10 -4.731 -6.560 1.746 1.00 0.34 H new ATOM 0 HG3 LYS A 10 -3.635 -7.691 0.977 1.00 0.34 H new ATOM 0 HD2 LYS A 10 -2.501 -5.949 -0.245 1.00 1.49 H new ATOM 0 HD3 LYS A 10 -3.802 -4.802 0.009 1.00 1.49 H new ATOM 0 HE2 LYS A 10 -2.574 -5.922 2.503 1.00 0.88 H new ATOM 0 HE3 LYS A 10 -1.525 -4.889 1.551 1.00 0.88 H new ATOM 0 HZ1 LYS A 10 -2.796 -3.607 3.156 1.00 0.72 H new ATOM 0 HZ2 LYS A 10 -3.243 -3.168 1.577 1.00 0.72 H new ATOM 0 HZ3 LYS A 10 -4.258 -4.169 2.500 1.00 0.72 H new ATOM 150 N ALA A 11 -4.808 -10.618 -0.046 1.00 0.26 N ATOM 151 CA ALA A 11 -5.089 -11.733 0.907 1.00 0.28 C ATOM 152 C ALA A 11 -5.310 -11.239 2.325 1.00 0.26 C ATOM 153 O ALA A 11 -4.428 -10.687 2.953 1.00 0.20 O ATOM 154 CB ALA A 11 -3.903 -12.696 0.888 1.00 0.27 C ATOM 0 H ALA A 11 -4.150 -10.845 -0.792 1.00 0.26 H new ATOM 0 HA ALA A 11 -6.007 -12.228 0.589 1.00 0.28 H new ATOM 0 HB1 ALA A 11 -4.091 -13.518 1.579 1.00 0.27 H new ATOM 0 HB2 ALA A 11 -3.772 -13.091 -0.119 1.00 0.27 H new ATOM 0 HB3 ALA A 11 -3.000 -12.167 1.191 1.00 0.27 H new ATOM 160 N LEU A 12 -6.506 -11.454 2.790 1.00 0.33 N ATOM 161 CA LEU A 12 -6.856 -11.023 4.158 1.00 0.35 C ATOM 162 C LEU A 12 -6.286 -11.992 5.177 1.00 0.32 C ATOM 163 O LEU A 12 -5.901 -11.592 6.253 1.00 0.32 O ATOM 164 CB LEU A 12 -8.386 -11.020 4.297 1.00 0.50 C ATOM 165 CG LEU A 12 -9.029 -10.338 3.080 1.00 0.55 C ATOM 166 CD1 LEU A 12 -10.552 -10.529 3.156 1.00 0.67 C ATOM 167 CD2 LEU A 12 -8.689 -8.841 3.102 1.00 0.53 C ATOM 0 H LEU A 12 -7.257 -11.913 2.274 1.00 0.33 H new ATOM 0 HA LEU A 12 -6.446 -10.029 4.334 1.00 0.35 H new ATOM 0 HB2 LEU A 12 -8.752 -12.043 4.385 1.00 0.50 H new ATOM 0 HB3 LEU A 12 -8.674 -10.498 5.210 1.00 0.50 H new ATOM 0 HG LEU A 12 -8.650 -10.777 2.157 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -11.022 -10.049 2.297 1.00 0.67 H new ATOM 0 HD12 LEU A 12 -10.786 -11.594 3.150 1.00 0.67 H new ATOM 0 HD13 LEU A 12 -10.930 -10.080 4.074 1.00 0.67 H new ATOM 0 HD21 LEU A 12 -9.143 -8.352 2.240 1.00 0.53 H new ATOM 0 HD22 LEU A 12 -9.075 -8.394 4.018 1.00 0.53 H new ATOM 0 HD23 LEU A 12 -7.607 -8.713 3.064 1.00 0.53 H new ATOM 179 N PHE A 13 -6.230 -13.247 4.809 1.00 0.32 N ATOM 180 CA PHE A 13 -5.685 -14.271 5.755 1.00 0.32 C ATOM 181 C PHE A 13 -4.428 -14.921 5.185 1.00 0.31 C ATOM 182 O PHE A 13 -3.944 -14.528 4.141 1.00 0.35 O ATOM 183 CB PHE A 13 -6.736 -15.375 5.987 1.00 0.35 C ATOM 184 CG PHE A 13 -8.120 -14.786 6.322 1.00 0.38 C ATOM 185 CD1 PHE A 13 -8.255 -13.563 6.964 1.00 0.35 C ATOM 186 CD2 PHE A 13 -9.269 -15.482 5.967 1.00 0.47 C ATOM 187 CE1 PHE A 13 -9.501 -13.048 7.234 1.00 0.38 C ATOM 188 CE2 PHE A 13 -10.516 -14.958 6.241 1.00 0.52 C ATOM 189 CZ PHE A 13 -10.632 -13.744 6.873 1.00 0.46 C ATOM 0 H PHE A 13 -6.534 -13.606 3.904 1.00 0.32 H new ATOM 0 HA PHE A 13 -5.442 -13.769 6.692 1.00 0.32 H new ATOM 0 HB2 PHE A 13 -6.812 -15.998 5.096 1.00 0.35 H new ATOM 0 HB3 PHE A 13 -6.410 -16.022 6.801 1.00 0.35 H new ATOM 0 HD1 PHE A 13 -7.373 -13.011 7.254 1.00 0.35 H new ATOM 0 HD2 PHE A 13 -9.186 -16.439 5.474 1.00 0.47 H new ATOM 0 HE1 PHE A 13 -9.592 -12.094 7.731 1.00 0.38 H new ATOM 0 HE2 PHE A 13 -11.404 -15.504 5.958 1.00 0.52 H new ATOM 0 HZ PHE A 13 -11.609 -13.336 7.086 1.00 0.46 H new ATOM 199 N ASP A 14 -3.927 -15.906 5.886 1.00 0.31 N ATOM 200 CA ASP A 14 -2.701 -16.602 5.411 1.00 0.31 C ATOM 201 C ASP A 14 -3.032 -17.954 4.790 1.00 0.33 C ATOM 202 O ASP A 14 -4.037 -18.557 5.104 1.00 0.35 O ATOM 203 CB ASP A 14 -1.777 -16.818 6.615 1.00 0.32 C ATOM 204 CG ASP A 14 -1.412 -15.458 7.217 1.00 1.97 C ATOM 205 OD1 ASP A 14 -1.717 -14.478 6.559 1.00 2.48 O ATOM 206 OD2 ASP A 14 -0.852 -15.479 8.300 1.00 3.12 O ATOM 0 H ASP A 14 -4.314 -16.255 6.763 1.00 0.31 H new ATOM 0 HA ASP A 14 -2.221 -15.989 4.648 1.00 0.31 H new ATOM 0 HB2 ASP A 14 -2.271 -17.439 7.362 1.00 0.32 H new ATOM 0 HB3 ASP A 14 -0.875 -17.347 6.307 1.00 0.32 H new ATOM 211 N TYR A 15 -2.167 -18.402 3.921 1.00 0.39 N ATOM 212 CA TYR A 15 -2.388 -19.713 3.249 1.00 0.38 C ATOM 213 C TYR A 15 -1.121 -20.566 3.314 1.00 0.39 C ATOM 214 O TYR A 15 -0.086 -20.109 3.757 1.00 0.41 O ATOM 215 CB TYR A 15 -2.713 -19.419 1.781 1.00 0.35 C ATOM 216 CG TYR A 15 -3.382 -20.631 1.136 1.00 0.45 C ATOM 217 CD1 TYR A 15 -2.638 -21.706 0.713 1.00 0.52 C ATOM 218 CD2 TYR A 15 -4.750 -20.710 1.091 1.00 0.46 C ATOM 219 CE1 TYR A 15 -3.236 -22.845 0.281 1.00 0.59 C ATOM 220 CE2 TYR A 15 -5.369 -21.862 0.641 1.00 0.54 C ATOM 221 CZ TYR A 15 -4.609 -22.947 0.238 1.00 0.60 C ATOM 222 OH TYR A 15 -5.201 -24.124 -0.163 1.00 0.70 O ATOM 0 H TYR A 15 -1.314 -17.914 3.647 1.00 0.39 H new ATOM 0 HA TYR A 15 -3.196 -20.256 3.740 1.00 0.38 H new ATOM 0 HB2 TYR A 15 -3.371 -18.552 1.713 1.00 0.35 H new ATOM 0 HB3 TYR A 15 -1.799 -19.169 1.242 1.00 0.35 H new ATOM 0 HD1 TYR A 15 -1.560 -21.643 0.725 1.00 0.52 H new ATOM 0 HD2 TYR A 15 -5.347 -19.868 1.409 1.00 0.46 H new ATOM 0 HE1 TYR A 15 -2.628 -23.681 -0.033 1.00 0.59 H new ATOM 0 HE2 TYR A 15 -6.447 -21.915 0.604 1.00 0.54 H new ATOM 0 HH TYR A 15 -6.169 -23.993 -0.243 1.00 0.70 H new ATOM 232 N LYS A 16 -1.227 -21.788 2.875 1.00 0.39 N ATOM 233 CA LYS A 16 -0.037 -22.678 2.905 1.00 0.41 C ATOM 234 C LYS A 16 0.022 -23.699 1.750 1.00 0.45 C ATOM 235 O LYS A 16 -0.064 -24.892 1.972 1.00 0.48 O ATOM 236 CB LYS A 16 -0.058 -23.424 4.245 1.00 0.44 C ATOM 237 CG LYS A 16 1.288 -24.131 4.473 1.00 0.75 C ATOM 238 CD LYS A 16 2.117 -23.375 5.520 1.00 1.50 C ATOM 239 CE LYS A 16 3.287 -24.260 5.955 1.00 1.46 C ATOM 240 NZ LYS A 16 2.831 -25.267 6.954 1.00 1.42 N ATOM 0 H LYS A 16 -2.079 -22.206 2.500 1.00 0.39 H new ATOM 0 HA LYS A 16 0.847 -22.052 2.786 1.00 0.41 H new ATOM 0 HB2 LYS A 16 -0.253 -22.724 5.058 1.00 0.44 H new ATOM 0 HB3 LYS A 16 -0.868 -24.154 4.252 1.00 0.44 H new ATOM 0 HG2 LYS A 16 1.117 -25.155 4.805 1.00 0.75 H new ATOM 0 HG3 LYS A 16 1.840 -24.188 3.535 1.00 0.75 H new ATOM 0 HD2 LYS A 16 2.487 -22.438 5.104 1.00 1.50 H new ATOM 0 HD3 LYS A 16 1.497 -23.119 6.379 1.00 1.50 H new ATOM 0 HE2 LYS A 16 3.712 -24.765 5.087 1.00 1.46 H new ATOM 0 HE3 LYS A 16 4.077 -23.644 6.384 1.00 1.46 H new ATOM 0 HZ1 LYS A 16 3.655 -25.770 7.341 1.00 1.42 H new ATOM 0 HZ2 LYS A 16 2.325 -24.786 7.725 1.00 1.42 H new ATOM 0 HZ3 LYS A 16 2.194 -25.948 6.494 1.00 1.42 H new ATOM 254 N ALA A 17 0.172 -23.204 0.540 1.00 0.55 N ATOM 255 CA ALA A 17 0.253 -24.118 -0.647 1.00 0.64 C ATOM 256 C ALA A 17 1.623 -23.949 -1.229 1.00 0.64 C ATOM 257 O ALA A 17 2.248 -24.870 -1.710 1.00 0.78 O ATOM 258 CB ALA A 17 -0.728 -23.717 -1.753 1.00 0.67 C ATOM 0 H ALA A 17 0.242 -22.209 0.325 1.00 0.55 H new ATOM 0 HA ALA A 17 0.026 -25.132 -0.318 1.00 0.64 H new ATOM 0 HB1 ALA A 17 -0.633 -24.407 -2.591 1.00 0.67 H new ATOM 0 HB2 ALA A 17 -1.747 -23.753 -1.367 1.00 0.67 H new ATOM 0 HB3 ALA A 17 -0.503 -22.705 -2.089 1.00 0.67 H new ATOM 264 N GLN A 18 2.032 -22.729 -1.158 1.00 0.58 N ATOM 265 CA GLN A 18 3.361 -22.334 -1.677 1.00 0.60 C ATOM 266 C GLN A 18 3.303 -22.169 -3.179 1.00 0.89 C ATOM 267 O GLN A 18 3.748 -21.170 -3.708 1.00 1.13 O ATOM 268 CB GLN A 18 4.386 -23.420 -1.343 1.00 0.60 C ATOM 269 CG GLN A 18 5.764 -22.767 -1.186 1.00 0.48 C ATOM 270 CD GLN A 18 6.858 -23.840 -1.212 1.00 1.21 C ATOM 271 OE1 GLN A 18 6.522 -25.092 -1.360 1.00 2.12 O flip ATOM 272 NE2 GLN A 18 8.030 -23.547 -1.103 1.00 1.41 N flip ATOM 0 H GLN A 18 1.490 -21.966 -0.752 1.00 0.58 H new ATOM 0 HA GLN A 18 3.651 -21.390 -1.215 1.00 0.60 H new ATOM 0 HB2 GLN A 18 4.105 -23.934 -0.424 1.00 0.60 H new ATOM 0 HB3 GLN A 18 4.412 -24.170 -2.133 1.00 0.60 H new ATOM 0 HG2 GLN A 18 5.929 -22.048 -1.989 1.00 0.48 H new ATOM 0 HG3 GLN A 18 5.808 -22.213 -0.248 1.00 0.48 H new ATOM 0 HE21 GLN A 18 8.303 -22.571 -0.987 1.00 1.41 H new ATOM 0 HE22 GLN A 18 8.742 -24.277 -1.127 1.00 1.41 H new ATOM 281 N ARG A 19 2.723 -23.135 -3.839 1.00 1.08 N ATOM 282 CA ARG A 19 2.633 -23.030 -5.320 1.00 1.52 C ATOM 283 C ARG A 19 1.935 -24.231 -5.940 1.00 1.71 C ATOM 284 O ARG A 19 2.483 -24.883 -6.806 1.00 2.49 O ATOM 285 CB ARG A 19 4.047 -22.944 -5.910 1.00 2.02 C ATOM 286 CG ARG A 19 4.928 -24.023 -5.280 1.00 2.18 C ATOM 287 CD ARG A 19 5.728 -24.720 -6.383 1.00 1.02 C ATOM 288 NE ARG A 19 6.278 -23.688 -7.310 1.00 2.27 N ATOM 289 CZ ARG A 19 7.204 -24.018 -8.164 1.00 3.33 C ATOM 290 NH1 ARG A 19 6.960 -24.967 -9.025 1.00 3.79 N ATOM 291 NH2 ARG A 19 8.345 -23.389 -8.128 1.00 4.99 N ATOM 0 H ARG A 19 2.316 -23.974 -3.426 1.00 1.08 H new ATOM 0 HA ARG A 19 2.052 -22.136 -5.546 1.00 1.52 H new ATOM 0 HB2 ARG A 19 4.010 -23.075 -6.991 1.00 2.02 H new ATOM 0 HB3 ARG A 19 4.471 -21.958 -5.723 1.00 2.02 H new ATOM 0 HG2 ARG A 19 5.603 -23.578 -4.549 1.00 2.18 H new ATOM 0 HG3 ARG A 19 4.313 -24.747 -4.746 1.00 2.18 H new ATOM 0 HD2 ARG A 19 6.538 -25.305 -5.948 1.00 1.02 H new ATOM 0 HD3 ARG A 19 5.090 -25.415 -6.929 1.00 1.02 H new ATOM 0 HE ARG A 19 5.931 -22.730 -7.275 1.00 2.27 H new ATOM 0 HH11 ARG A 19 6.055 -25.438 -9.022 1.00 3.79 H new ATOM 0 HH12 ARG A 19 7.674 -25.238 -9.701 1.00 3.79 H new ATOM 0 HH21 ARG A 19 8.500 -22.653 -7.439 1.00 4.99 H new ATOM 0 HH22 ARG A 19 9.083 -23.633 -8.789 1.00 4.99 H new ATOM 305 N GLU A 20 0.740 -24.498 -5.490 1.00 1.16 N ATOM 306 CA GLU A 20 -0.011 -25.642 -6.042 1.00 1.36 C ATOM 307 C GLU A 20 -1.296 -25.119 -6.610 1.00 1.40 C ATOM 308 O GLU A 20 -1.317 -24.113 -7.294 1.00 3.46 O ATOM 309 CB GLU A 20 -0.332 -26.627 -4.907 1.00 1.27 C ATOM 310 CG GLU A 20 -1.366 -26.041 -3.917 1.00 1.05 C ATOM 311 CD GLU A 20 -2.593 -26.954 -3.882 1.00 1.09 C ATOM 312 OE1 GLU A 20 -2.375 -28.150 -3.774 1.00 1.45 O ATOM 313 OE2 GLU A 20 -3.677 -26.403 -3.965 1.00 0.89 O ATOM 0 H GLU A 20 0.258 -23.969 -4.764 1.00 1.16 H new ATOM 0 HA GLU A 20 0.573 -26.148 -6.811 1.00 1.36 H new ATOM 0 HB2 GLU A 20 -0.717 -27.555 -5.329 1.00 1.27 H new ATOM 0 HB3 GLU A 20 0.584 -26.876 -4.371 1.00 1.27 H new ATOM 0 HG2 GLU A 20 -0.930 -25.958 -2.922 1.00 1.05 H new ATOM 0 HG3 GLU A 20 -1.653 -25.035 -4.224 1.00 1.05 H new ATOM 320 N ASP A 21 -2.340 -25.823 -6.352 1.00 0.95 N ATOM 321 CA ASP A 21 -3.634 -25.371 -6.852 1.00 1.07 C ATOM 322 C ASP A 21 -4.073 -24.410 -5.765 1.00 0.88 C ATOM 323 O ASP A 21 -5.157 -24.507 -5.226 1.00 1.14 O ATOM 324 CB ASP A 21 -4.610 -26.553 -6.936 1.00 1.42 C ATOM 325 CG ASP A 21 -4.047 -27.608 -7.883 1.00 1.13 C ATOM 326 OD1 ASP A 21 -3.012 -28.150 -7.532 1.00 2.11 O ATOM 327 OD2 ASP A 21 -4.684 -27.817 -8.902 1.00 1.90 O ATOM 0 H ASP A 21 -2.350 -26.691 -5.816 1.00 0.95 H new ATOM 0 HA ASP A 21 -3.596 -24.929 -7.848 1.00 1.07 H new ATOM 0 HB2 ASP A 21 -4.765 -26.982 -5.946 1.00 1.42 H new ATOM 0 HB3 ASP A 21 -5.582 -26.212 -7.291 1.00 1.42 H new ATOM 332 N GLU A 22 -3.114 -23.568 -5.421 1.00 0.49 N ATOM 333 CA GLU A 22 -3.253 -22.518 -4.379 1.00 0.41 C ATOM 334 C GLU A 22 -1.817 -22.052 -4.012 1.00 0.32 C ATOM 335 O GLU A 22 -0.872 -22.622 -4.519 1.00 0.49 O ATOM 336 CB GLU A 22 -3.917 -23.140 -3.119 1.00 0.72 C ATOM 337 CG GLU A 22 -5.319 -22.555 -2.832 1.00 0.42 C ATOM 338 CD GLU A 22 -6.296 -23.678 -2.461 1.00 0.21 C ATOM 339 OE1 GLU A 22 -6.289 -24.667 -3.177 1.00 1.27 O ATOM 340 OE2 GLU A 22 -7.003 -23.480 -1.489 1.00 0.57 O ATOM 0 H GLU A 22 -2.192 -23.580 -5.856 1.00 0.49 H new ATOM 0 HA GLU A 22 -3.861 -21.687 -4.735 1.00 0.41 H new ATOM 0 HB2 GLU A 22 -3.998 -24.219 -3.252 1.00 0.72 H new ATOM 0 HB3 GLU A 22 -3.274 -22.973 -2.255 1.00 0.72 H new ATOM 0 HG2 GLU A 22 -5.260 -21.831 -2.019 1.00 0.42 H new ATOM 0 HG3 GLU A 22 -5.684 -22.020 -3.709 1.00 0.42 H new ATOM 347 N LEU A 23 -1.657 -21.006 -3.209 1.00 0.32 N ATOM 348 CA LEU A 23 -0.247 -20.557 -2.848 1.00 0.34 C ATOM 349 C LEU A 23 -0.164 -20.287 -1.351 1.00 0.42 C ATOM 350 O LEU A 23 -1.161 -19.991 -0.742 1.00 0.51 O ATOM 351 CB LEU A 23 0.176 -19.231 -3.516 1.00 0.31 C ATOM 352 CG LEU A 23 -0.475 -19.034 -4.887 1.00 0.26 C ATOM 353 CD1 LEU A 23 -1.179 -17.680 -5.008 1.00 0.24 C ATOM 354 CD2 LEU A 23 0.636 -19.111 -5.933 1.00 0.29 C ATOM 0 H LEU A 23 -2.413 -20.458 -2.798 1.00 0.32 H new ATOM 0 HA LEU A 23 0.403 -21.363 -3.188 1.00 0.34 H new ATOM 0 HB2 LEU A 23 -0.093 -18.398 -2.866 1.00 0.31 H new ATOM 0 HB3 LEU A 23 1.260 -19.212 -3.626 1.00 0.31 H new ATOM 0 HG LEU A 23 -1.232 -19.805 -5.031 1.00 0.26 H new ATOM 0 HD11 LEU A 23 -1.625 -17.589 -5.999 1.00 0.24 H new ATOM 0 HD12 LEU A 23 -1.960 -17.607 -4.251 1.00 0.24 H new ATOM 0 HD13 LEU A 23 -0.455 -16.879 -4.861 1.00 0.24 H new ATOM 0 HD21 LEU A 23 0.210 -18.975 -6.927 1.00 0.29 H new ATOM 0 HD22 LEU A 23 1.370 -18.328 -5.742 1.00 0.29 H new ATOM 0 HD23 LEU A 23 1.122 -20.085 -5.877 1.00 0.29 H new ATOM 366 N THR A 24 1.029 -20.312 -0.804 1.00 0.40 N ATOM 367 CA THR A 24 1.180 -20.057 0.653 1.00 0.44 C ATOM 368 C THR A 24 1.174 -18.577 0.901 1.00 0.37 C ATOM 369 O THR A 24 1.676 -18.099 1.895 1.00 0.35 O ATOM 370 CB THR A 24 2.521 -20.608 1.144 1.00 0.51 C ATOM 371 OG1 THR A 24 2.490 -20.465 2.552 1.00 0.36 O ATOM 372 CG2 THR A 24 3.677 -19.701 0.708 1.00 0.59 C ATOM 0 H THR A 24 1.897 -20.498 -1.306 1.00 0.40 H new ATOM 0 HA THR A 24 0.358 -20.542 1.180 1.00 0.44 H new ATOM 0 HB THR A 24 2.659 -21.622 0.769 1.00 0.51 H new ATOM 0 HG1 THR A 24 2.217 -19.552 2.782 1.00 0.36 H new ATOM 0 HG21 THR A 24 4.619 -20.114 1.069 1.00 0.59 H new ATOM 0 HG22 THR A 24 3.701 -19.639 -0.380 1.00 0.59 H new ATOM 0 HG23 THR A 24 3.534 -18.704 1.125 1.00 0.59 H new ATOM 380 N PHE A 25 0.602 -17.888 -0.021 1.00 0.33 N ATOM 381 CA PHE A 25 0.536 -16.431 0.115 1.00 0.25 C ATOM 382 C PHE A 25 0.112 -16.061 1.530 1.00 0.26 C ATOM 383 O PHE A 25 -0.714 -16.728 2.122 1.00 0.31 O ATOM 384 CB PHE A 25 -0.435 -15.903 -0.937 1.00 0.18 C ATOM 385 CG PHE A 25 -1.856 -16.437 -0.735 1.00 0.17 C ATOM 386 CD1 PHE A 25 -2.646 -16.024 0.320 1.00 0.23 C ATOM 387 CD2 PHE A 25 -2.384 -17.314 -1.654 1.00 0.19 C ATOM 388 CE1 PHE A 25 -3.938 -16.489 0.437 1.00 0.24 C ATOM 389 CE2 PHE A 25 -3.649 -17.772 -1.551 1.00 0.19 C ATOM 390 CZ PHE A 25 -4.440 -17.363 -0.501 1.00 0.18 C ATOM 0 H PHE A 25 0.176 -18.272 -0.865 1.00 0.33 H new ATOM 0 HA PHE A 25 1.512 -15.976 -0.050 1.00 0.25 H new ATOM 0 HB2 PHE A 25 -0.450 -14.814 -0.901 1.00 0.18 H new ATOM 0 HB3 PHE A 25 -0.081 -16.184 -1.929 1.00 0.18 H new ATOM 0 HD1 PHE A 25 -2.251 -15.337 1.053 1.00 0.23 H new ATOM 0 HD2 PHE A 25 -1.770 -17.644 -2.479 1.00 0.19 H new ATOM 0 HE1 PHE A 25 -4.556 -16.168 1.263 1.00 0.24 H new ATOM 0 HE2 PHE A 25 -4.039 -18.457 -2.289 1.00 0.19 H new ATOM 0 HZ PHE A 25 -5.453 -17.727 -0.413 1.00 0.18 H new ATOM 400 N ILE A 26 0.678 -15.002 2.040 1.00 0.24 N ATOM 401 CA ILE A 26 0.330 -14.571 3.422 1.00 0.23 C ATOM 402 C ILE A 26 -0.615 -13.372 3.446 1.00 0.11 C ATOM 403 O ILE A 26 -0.975 -12.833 2.418 1.00 0.06 O ATOM 404 CB ILE A 26 1.633 -14.173 4.129 1.00 0.29 C ATOM 405 CG1 ILE A 26 2.448 -13.249 3.220 1.00 0.28 C ATOM 406 CG2 ILE A 26 2.468 -15.436 4.428 1.00 0.38 C ATOM 407 CD1 ILE A 26 3.704 -12.785 3.967 1.00 0.34 C ATOM 0 H ILE A 26 1.364 -14.419 1.561 1.00 0.24 H new ATOM 0 HA ILE A 26 -0.178 -15.398 3.917 1.00 0.23 H new ATOM 0 HB ILE A 26 1.390 -13.660 5.060 1.00 0.29 H new ATOM 0 HG12 ILE A 26 2.727 -13.773 2.306 1.00 0.28 H new ATOM 0 HG13 ILE A 26 1.848 -12.389 2.924 1.00 0.28 H new ATOM 0 HG21 ILE A 26 3.393 -15.151 4.930 1.00 0.38 H new ATOM 0 HG22 ILE A 26 1.897 -16.105 5.072 1.00 0.38 H new ATOM 0 HG23 ILE A 26 2.705 -15.945 3.494 1.00 0.38 H new ATOM 0 HD11 ILE A 26 4.288 -12.127 3.324 1.00 0.34 H new ATOM 0 HD12 ILE A 26 3.413 -12.246 4.869 1.00 0.34 H new ATOM 0 HD13 ILE A 26 4.306 -13.652 4.241 1.00 0.34 H new ATOM 419 N LYS A 27 -1.002 -12.990 4.640 1.00 0.17 N ATOM 420 CA LYS A 27 -1.917 -11.837 4.781 1.00 0.16 C ATOM 421 C LYS A 27 -1.218 -10.577 4.354 1.00 0.23 C ATOM 422 O LYS A 27 -0.291 -10.142 5.002 1.00 0.59 O ATOM 423 CB LYS A 27 -2.318 -11.667 6.252 1.00 0.22 C ATOM 424 CG LYS A 27 -2.887 -10.245 6.449 1.00 0.35 C ATOM 425 CD LYS A 27 -3.665 -10.176 7.777 1.00 2.11 C ATOM 426 CE LYS A 27 -2.691 -10.211 8.963 1.00 1.28 C ATOM 427 NZ LYS A 27 -3.269 -9.484 10.132 1.00 1.45 N ATOM 0 H LYS A 27 -0.719 -13.432 5.515 1.00 0.17 H new ATOM 0 HA LYS A 27 -2.796 -12.018 4.162 1.00 0.16 H new ATOM 0 HB2 LYS A 27 -3.062 -12.414 6.529 1.00 0.22 H new ATOM 0 HB3 LYS A 27 -1.455 -11.822 6.899 1.00 0.22 H new ATOM 0 HG2 LYS A 27 -2.077 -9.516 6.453 1.00 0.35 H new ATOM 0 HG3 LYS A 27 -3.544 -9.987 5.618 1.00 0.35 H new ATOM 0 HD2 LYS A 27 -4.260 -9.263 7.812 1.00 2.11 H new ATOM 0 HD3 LYS A 27 -4.361 -11.012 7.843 1.00 2.11 H new ATOM 0 HE2 LYS A 27 -2.479 -11.244 9.238 1.00 1.28 H new ATOM 0 HE3 LYS A 27 -1.743 -9.757 8.677 1.00 1.28 H new ATOM 0 HZ1 LYS A 27 -2.599 -9.516 10.927 1.00 1.45 H new ATOM 0 HZ2 LYS A 27 -3.449 -8.494 9.871 1.00 1.45 H new ATOM 0 HZ3 LYS A 27 -4.163 -9.935 10.414 1.00 1.45 H new ATOM 441 N SER A 28 -1.708 -10.054 3.274 1.00 0.13 N ATOM 442 CA SER A 28 -1.183 -8.803 2.660 1.00 0.10 C ATOM 443 C SER A 28 -0.689 -9.112 1.258 1.00 0.09 C ATOM 444 O SER A 28 -0.397 -8.226 0.479 1.00 0.08 O ATOM 445 CB SER A 28 -0.020 -8.194 3.466 1.00 0.11 C ATOM 446 OG SER A 28 0.318 -7.017 2.747 1.00 0.14 O ATOM 0 H SER A 28 -2.491 -10.462 2.764 1.00 0.13 H new ATOM 0 HA SER A 28 -1.997 -8.078 2.646 1.00 0.10 H new ATOM 0 HB2 SER A 28 -0.320 -7.965 4.488 1.00 0.11 H new ATOM 0 HB3 SER A 28 0.825 -8.880 3.528 1.00 0.11 H new ATOM 0 HG SER A 28 -0.037 -7.077 1.835 1.00 0.14 H new ATOM 452 N ALA A 29 -0.619 -10.380 0.964 1.00 0.12 N ATOM 453 CA ALA A 29 -0.150 -10.793 -0.375 1.00 0.17 C ATOM 454 C ALA A 29 -1.025 -10.171 -1.447 1.00 0.18 C ATOM 455 O ALA A 29 -2.227 -10.088 -1.284 1.00 0.19 O ATOM 456 CB ALA A 29 -0.274 -12.311 -0.478 1.00 0.22 C ATOM 0 H ALA A 29 -0.867 -11.142 1.595 1.00 0.12 H new ATOM 0 HA ALA A 29 0.882 -10.470 -0.515 1.00 0.17 H new ATOM 0 HB1 ALA A 29 0.067 -12.638 -1.460 1.00 0.22 H new ATOM 0 HB2 ALA A 29 0.338 -12.779 0.293 1.00 0.22 H new ATOM 0 HB3 ALA A 29 -1.316 -12.601 -0.341 1.00 0.22 H new ATOM 462 N ILE A 30 -0.413 -9.763 -2.527 1.00 0.20 N ATOM 463 CA ILE A 30 -1.202 -9.142 -3.615 1.00 0.23 C ATOM 464 C ILE A 30 -1.154 -9.975 -4.893 1.00 0.26 C ATOM 465 O ILE A 30 -0.098 -10.233 -5.435 1.00 0.59 O ATOM 466 CB ILE A 30 -0.622 -7.762 -3.901 1.00 0.21 C ATOM 467 CG1 ILE A 30 -0.163 -7.096 -2.596 1.00 0.04 C ATOM 468 CG2 ILE A 30 -1.745 -6.926 -4.522 1.00 0.39 C ATOM 469 CD1 ILE A 30 0.359 -5.687 -2.894 1.00 0.23 C ATOM 0 H ILE A 30 0.590 -9.834 -2.697 1.00 0.20 H new ATOM 0 HA ILE A 30 -2.242 -9.076 -3.296 1.00 0.23 H new ATOM 0 HB ILE A 30 0.237 -7.840 -4.567 1.00 0.21 H new ATOM 0 HG12 ILE A 30 -0.992 -7.046 -1.890 1.00 0.04 H new ATOM 0 HG13 ILE A 30 0.619 -7.693 -2.127 1.00 0.04 H new ATOM 0 HG21 ILE A 30 -1.374 -5.926 -4.744 1.00 0.39 H new ATOM 0 HG22 ILE A 30 -2.085 -7.400 -5.443 1.00 0.39 H new ATOM 0 HG23 ILE A 30 -2.577 -6.857 -3.821 1.00 0.39 H new ATOM 0 HD11 ILE A 30 0.684 -5.216 -1.967 1.00 0.23 H new ATOM 0 HD12 ILE A 30 1.200 -5.749 -3.584 1.00 0.23 H new ATOM 0 HD13 ILE A 30 -0.436 -5.092 -3.344 1.00 0.23 H new ATOM 481 N ILE A 31 -2.318 -10.359 -5.348 1.00 0.18 N ATOM 482 CA ILE A 31 -2.412 -11.178 -6.587 1.00 0.19 C ATOM 483 C ILE A 31 -3.009 -10.349 -7.740 1.00 0.17 C ATOM 484 O ILE A 31 -3.703 -9.381 -7.493 1.00 0.18 O ATOM 485 CB ILE A 31 -3.321 -12.366 -6.256 1.00 0.18 C ATOM 486 CG1 ILE A 31 -2.787 -13.048 -4.981 1.00 0.18 C ATOM 487 CG2 ILE A 31 -3.289 -13.354 -7.433 1.00 0.20 C ATOM 488 CD1 ILE A 31 -3.677 -14.218 -4.586 1.00 0.18 C ATOM 0 H ILE A 31 -3.212 -10.138 -4.910 1.00 0.18 H new ATOM 0 HA ILE A 31 -1.427 -11.514 -6.909 1.00 0.19 H new ATOM 0 HB ILE A 31 -4.346 -12.035 -6.091 1.00 0.18 H new ATOM 0 HG12 ILE A 31 -1.769 -13.399 -5.149 1.00 0.18 H new ATOM 0 HG13 ILE A 31 -2.744 -12.325 -4.166 1.00 0.18 H new ATOM 0 HG21 ILE A 31 -3.932 -14.205 -7.211 1.00 0.20 H new ATOM 0 HG22 ILE A 31 -3.644 -12.856 -8.335 1.00 0.20 H new ATOM 0 HG23 ILE A 31 -2.268 -13.702 -7.589 1.00 0.20 H new ATOM 0 HD11 ILE A 31 -3.283 -14.686 -3.684 1.00 0.18 H new ATOM 0 HD12 ILE A 31 -4.688 -13.858 -4.396 1.00 0.18 H new ATOM 0 HD13 ILE A 31 -3.698 -14.949 -5.395 1.00 0.18 H new ATOM 500 N GLN A 32 -2.735 -10.739 -8.975 1.00 0.22 N ATOM 501 CA GLN A 32 -3.284 -9.969 -10.141 1.00 0.25 C ATOM 502 C GLN A 32 -4.106 -10.868 -11.067 1.00 0.23 C ATOM 503 O GLN A 32 -4.047 -12.078 -10.970 1.00 0.23 O ATOM 504 CB GLN A 32 -2.101 -9.405 -10.940 1.00 0.33 C ATOM 505 CG GLN A 32 -0.941 -9.116 -9.985 1.00 0.38 C ATOM 506 CD GLN A 32 0.096 -8.248 -10.701 1.00 0.29 C ATOM 507 OE1 GLN A 32 0.737 -7.405 -10.101 1.00 2.08 O ATOM 508 NE2 GLN A 32 0.295 -8.422 -11.979 1.00 2.26 N ATOM 0 H GLN A 32 -2.162 -11.547 -9.218 1.00 0.22 H new ATOM 0 HA GLN A 32 -3.931 -9.177 -9.764 1.00 0.25 H new ATOM 0 HB2 GLN A 32 -1.790 -10.118 -11.704 1.00 0.33 H new ATOM 0 HB3 GLN A 32 -2.398 -8.493 -11.457 1.00 0.33 H new ATOM 0 HG2 GLN A 32 -1.307 -8.606 -9.094 1.00 0.38 H new ATOM 0 HG3 GLN A 32 -0.485 -10.049 -9.654 1.00 0.38 H new ATOM 0 HE21 GLN A 32 -0.239 -9.127 -12.487 1.00 2.26 H new ATOM 0 HE22 GLN A 32 0.985 -7.853 -12.470 1.00 2.26 H new ATOM 517 N ASN A 33 -4.858 -10.261 -11.959 1.00 0.24 N ATOM 518 CA ASN A 33 -5.681 -11.084 -12.887 1.00 0.25 C ATOM 519 C ASN A 33 -6.492 -12.049 -12.041 1.00 0.25 C ATOM 520 O ASN A 33 -6.183 -13.219 -11.931 1.00 0.55 O ATOM 521 CB ASN A 33 -4.753 -11.862 -13.837 1.00 0.23 C ATOM 522 CG ASN A 33 -4.479 -11.030 -15.099 1.00 0.48 C ATOM 523 OD1 ASN A 33 -4.814 -9.768 -15.120 1.00 1.72 O flip ATOM 524 ND2 ASN A 33 -3.952 -11.523 -16.077 1.00 2.51 N flip ATOM 0 H ASN A 33 -4.933 -9.251 -12.079 1.00 0.24 H new ATOM 0 HA ASN A 33 -6.342 -10.458 -13.486 1.00 0.25 H new ATOM 0 HB2 ASN A 33 -3.815 -12.094 -13.333 1.00 0.23 H new ATOM 0 HB3 ASN A 33 -5.212 -12.812 -14.110 1.00 0.23 H new ATOM 0 HD21 ASN A 33 -3.686 -12.508 -16.071 1.00 2.51 H new ATOM 0 HD22 ASN A 33 -3.775 -10.952 -16.904 1.00 2.51 H new ATOM 531 N VAL A 34 -7.521 -11.513 -11.456 1.00 0.17 N ATOM 532 CA VAL A 34 -8.398 -12.326 -10.590 1.00 0.20 C ATOM 533 C VAL A 34 -9.686 -12.792 -11.267 1.00 0.23 C ATOM 534 O VAL A 34 -10.200 -12.143 -12.154 1.00 0.26 O ATOM 535 CB VAL A 34 -8.760 -11.418 -9.428 1.00 0.39 C ATOM 536 CG1 VAL A 34 -9.963 -10.551 -9.812 1.00 1.33 C ATOM 537 CG2 VAL A 34 -9.104 -12.261 -8.214 1.00 1.30 C ATOM 0 H VAL A 34 -7.792 -10.534 -11.545 1.00 0.17 H new ATOM 0 HA VAL A 34 -7.872 -13.237 -10.305 1.00 0.20 H new ATOM 0 HB VAL A 34 -7.913 -10.775 -9.191 1.00 0.39 H new ATOM 0 HG11 VAL A 34 -10.223 -9.899 -8.978 1.00 1.33 H new ATOM 0 HG12 VAL A 34 -9.711 -9.944 -10.682 1.00 1.33 H new ATOM 0 HG13 VAL A 34 -10.812 -11.192 -10.050 1.00 1.33 H new ATOM 0 HG21 VAL A 34 -9.364 -11.609 -7.380 1.00 1.30 H new ATOM 0 HG22 VAL A 34 -9.951 -12.907 -8.447 1.00 1.30 H new ATOM 0 HG23 VAL A 34 -8.245 -12.874 -7.941 1.00 1.30 H new ATOM 547 N GLU A 35 -10.189 -13.910 -10.798 1.00 0.37 N ATOM 548 CA GLU A 35 -11.445 -14.466 -11.375 1.00 0.59 C ATOM 549 C GLU A 35 -12.085 -15.470 -10.410 1.00 0.35 C ATOM 550 O GLU A 35 -11.578 -16.560 -10.230 1.00 0.65 O ATOM 551 CB GLU A 35 -11.103 -15.212 -12.673 1.00 1.09 C ATOM 552 CG GLU A 35 -10.930 -14.226 -13.833 1.00 2.16 C ATOM 553 CD GLU A 35 -11.008 -14.992 -15.154 1.00 2.32 C ATOM 554 OE1 GLU A 35 -10.019 -15.642 -15.459 1.00 3.15 O ATOM 555 OE2 GLU A 35 -12.048 -14.889 -15.782 1.00 2.15 O ATOM 0 H GLU A 35 -9.781 -14.458 -10.041 1.00 0.37 H new ATOM 0 HA GLU A 35 -12.138 -13.645 -11.559 1.00 0.59 H new ATOM 0 HB2 GLU A 35 -10.187 -15.787 -12.538 1.00 1.09 H new ATOM 0 HB3 GLU A 35 -11.894 -15.924 -12.909 1.00 1.09 H new ATOM 0 HG2 GLU A 35 -11.705 -13.461 -13.795 1.00 2.16 H new ATOM 0 HG3 GLU A 35 -9.972 -13.713 -13.751 1.00 2.16 H new ATOM 562 N LYS A 36 -13.183 -15.092 -9.808 1.00 0.30 N ATOM 563 CA LYS A 36 -13.855 -16.028 -8.857 1.00 0.34 C ATOM 564 C LYS A 36 -14.539 -17.153 -9.621 1.00 0.55 C ATOM 565 O LYS A 36 -15.645 -17.018 -10.109 1.00 1.63 O ATOM 566 CB LYS A 36 -14.907 -15.253 -8.036 1.00 0.76 C ATOM 567 CG LYS A 36 -14.602 -13.752 -8.075 1.00 0.96 C ATOM 568 CD LYS A 36 -15.327 -13.066 -6.912 1.00 1.47 C ATOM 569 CE LYS A 36 -15.350 -11.543 -7.118 1.00 1.42 C ATOM 570 NZ LYS A 36 -14.395 -11.114 -8.183 1.00 2.52 N ATOM 0 H LYS A 36 -13.639 -14.188 -9.931 1.00 0.30 H new ATOM 0 HA LYS A 36 -13.106 -16.456 -8.191 1.00 0.34 H new ATOM 0 HB2 LYS A 36 -15.903 -15.440 -8.437 1.00 0.76 H new ATOM 0 HB3 LYS A 36 -14.907 -15.606 -7.005 1.00 0.76 H new ATOM 0 HG2 LYS A 36 -13.528 -13.584 -8.001 1.00 0.96 H new ATOM 0 HG3 LYS A 36 -14.926 -13.326 -9.025 1.00 0.96 H new ATOM 0 HD2 LYS A 36 -16.346 -13.445 -6.837 1.00 1.47 H new ATOM 0 HD3 LYS A 36 -14.828 -13.305 -5.973 1.00 1.47 H new ATOM 0 HE2 LYS A 36 -16.358 -11.227 -7.385 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -15.098 -11.045 -6.182 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -14.273 -10.082 -8.145 1.00 2.52 H new ATOM 0 HZ2 LYS A 36 -13.476 -11.577 -8.032 1.00 2.52 H new ATOM 0 HZ3 LYS A 36 -14.770 -11.384 -9.115 1.00 2.52 H new ATOM 584 N GLN A 37 -13.839 -18.239 -9.716 1.00 0.73 N ATOM 585 CA GLN A 37 -14.371 -19.421 -10.425 1.00 0.48 C ATOM 586 C GLN A 37 -15.855 -19.628 -10.068 1.00 1.67 C ATOM 587 O GLN A 37 -16.332 -19.074 -9.099 1.00 2.70 O ATOM 588 CB GLN A 37 -13.462 -20.593 -9.977 1.00 0.91 C ATOM 589 CG GLN A 37 -14.246 -21.751 -9.334 1.00 2.76 C ATOM 590 CD GLN A 37 -15.034 -22.496 -10.416 1.00 3.46 C ATOM 591 OE1 GLN A 37 -16.162 -22.897 -10.213 1.00 5.03 O ATOM 592 NE2 GLN A 37 -14.474 -22.710 -11.575 1.00 2.89 N ATOM 0 H GLN A 37 -12.904 -18.359 -9.325 1.00 0.73 H new ATOM 0 HA GLN A 37 -14.353 -19.323 -11.510 1.00 0.48 H new ATOM 0 HB2 GLN A 37 -12.912 -20.969 -10.840 1.00 0.91 H new ATOM 0 HB3 GLN A 37 -12.724 -20.222 -9.266 1.00 0.91 H new ATOM 0 HG2 GLN A 37 -13.561 -22.434 -8.833 1.00 2.76 H new ATOM 0 HG3 GLN A 37 -14.926 -21.366 -8.574 1.00 2.76 H new ATOM 0 HE21 GLN A 37 -13.527 -22.376 -11.753 1.00 2.89 H new ATOM 0 HE22 GLN A 37 -14.984 -23.211 -12.303 1.00 2.89 H new ATOM 601 N GLU A 38 -16.563 -20.391 -10.867 1.00 1.61 N ATOM 602 CA GLU A 38 -18.013 -20.624 -10.568 1.00 2.81 C ATOM 603 C GLU A 38 -18.211 -21.527 -9.346 1.00 1.72 C ATOM 604 O GLU A 38 -19.039 -22.419 -9.355 1.00 2.45 O ATOM 605 CB GLU A 38 -18.660 -21.305 -11.782 1.00 4.68 C ATOM 606 CG GLU A 38 -18.858 -20.279 -12.900 1.00 6.05 C ATOM 607 CD GLU A 38 -19.044 -21.017 -14.228 1.00 6.37 C ATOM 608 OE1 GLU A 38 -19.783 -21.988 -14.208 1.00 4.98 O ATOM 609 OE2 GLU A 38 -18.437 -20.570 -15.187 1.00 8.26 O ATOM 0 H GLU A 38 -16.207 -20.857 -11.702 1.00 1.61 H new ATOM 0 HA GLU A 38 -18.472 -19.658 -10.356 1.00 2.81 H new ATOM 0 HB2 GLU A 38 -18.030 -22.122 -12.132 1.00 4.68 H new ATOM 0 HB3 GLU A 38 -19.619 -21.740 -11.500 1.00 4.68 H new ATOM 0 HG2 GLU A 38 -19.728 -19.657 -12.690 1.00 6.05 H new ATOM 0 HG3 GLU A 38 -17.997 -19.613 -12.957 1.00 6.05 H new ATOM 616 N GLY A 39 -17.453 -21.281 -8.318 1.00 0.26 N ATOM 617 CA GLY A 39 -17.589 -22.120 -7.090 1.00 1.32 C ATOM 618 C GLY A 39 -17.162 -21.350 -5.830 1.00 1.61 C ATOM 619 O GLY A 39 -17.432 -21.781 -4.726 1.00 3.63 O ATOM 0 H GLY A 39 -16.750 -20.543 -8.270 1.00 0.26 H new ATOM 0 HA2 GLY A 39 -18.623 -22.447 -6.984 1.00 1.32 H new ATOM 0 HA3 GLY A 39 -16.980 -23.018 -7.193 1.00 1.32 H new ATOM 623 N GLY A 40 -16.506 -20.231 -6.016 1.00 0.93 N ATOM 624 CA GLY A 40 -16.054 -19.427 -4.842 1.00 0.65 C ATOM 625 C GLY A 40 -14.554 -19.632 -4.637 1.00 0.43 C ATOM 626 O GLY A 40 -14.095 -19.857 -3.534 1.00 0.62 O ATOM 0 H GLY A 40 -16.265 -19.842 -6.928 1.00 0.93 H new ATOM 0 HA2 GLY A 40 -16.269 -18.371 -5.005 1.00 0.65 H new ATOM 0 HA3 GLY A 40 -16.600 -19.729 -3.948 1.00 0.65 H new ATOM 630 N TRP A 41 -13.823 -19.544 -5.714 1.00 0.10 N ATOM 631 CA TRP A 41 -12.353 -19.726 -5.638 1.00 0.15 C ATOM 632 C TRP A 41 -11.753 -18.726 -6.588 1.00 0.26 C ATOM 633 O TRP A 41 -12.284 -18.517 -7.654 1.00 0.35 O ATOM 634 CB TRP A 41 -12.028 -21.183 -5.992 1.00 0.24 C ATOM 635 CG TRP A 41 -12.499 -21.977 -4.775 1.00 0.32 C ATOM 636 CD1 TRP A 41 -13.782 -22.328 -4.577 1.00 0.41 C ATOM 637 CD2 TRP A 41 -11.831 -22.065 -3.620 1.00 0.34 C ATOM 638 NE1 TRP A 41 -13.843 -22.589 -3.270 1.00 0.49 N ATOM 639 CE2 TRP A 41 -12.679 -22.440 -2.597 1.00 0.43 C ATOM 640 CE3 TRP A 41 -10.499 -21.830 -3.351 1.00 0.36 C ATOM 641 CZ2 TRP A 41 -12.205 -22.547 -1.304 1.00 0.47 C ATOM 642 CZ3 TRP A 41 -10.018 -21.951 -2.066 1.00 0.39 C ATOM 643 CH2 TRP A 41 -10.881 -22.307 -1.031 1.00 0.42 C ATOM 0 H TRP A 41 -14.187 -19.353 -6.648 1.00 0.10 H new ATOM 0 HA TRP A 41 -11.940 -19.550 -4.645 1.00 0.15 H new ATOM 0 HB2 TRP A 41 -12.546 -21.498 -6.898 1.00 0.24 H new ATOM 0 HB3 TRP A 41 -10.962 -21.322 -6.170 1.00 0.24 H new ATOM 0 HD1 TRP A 41 -14.577 -22.385 -5.306 1.00 0.41 H new ATOM 0 HE1 TRP A 41 -14.706 -22.880 -2.811 1.00 0.49 H new ATOM 0 HE3 TRP A 41 -9.830 -21.550 -4.151 1.00 0.36 H new ATOM 0 HZ2 TRP A 41 -12.878 -22.820 -0.505 1.00 0.47 H new ATOM 0 HZ3 TRP A 41 -8.973 -21.770 -1.861 1.00 0.39 H new ATOM 0 HH2 TRP A 41 -10.510 -22.394 -0.020 1.00 0.42 H new ATOM 654 N TRP A 42 -10.668 -18.124 -6.199 1.00 0.26 N ATOM 655 CA TRP A 42 -10.051 -17.121 -7.085 1.00 0.26 C ATOM 656 C TRP A 42 -8.740 -17.558 -7.742 1.00 0.27 C ATOM 657 O TRP A 42 -7.981 -18.266 -7.142 1.00 0.52 O ATOM 658 CB TRP A 42 -9.666 -15.982 -6.167 1.00 0.24 C ATOM 659 CG TRP A 42 -10.892 -15.369 -5.500 1.00 0.28 C ATOM 660 CD1 TRP A 42 -11.970 -16.064 -5.100 1.00 0.23 C ATOM 661 CD2 TRP A 42 -11.090 -14.078 -5.342 1.00 0.42 C ATOM 662 NE1 TRP A 42 -12.814 -15.101 -4.756 1.00 0.36 N ATOM 663 CE2 TRP A 42 -12.351 -13.842 -4.856 1.00 0.48 C ATOM 664 CE3 TRP A 42 -10.201 -13.049 -5.493 1.00 0.53 C ATOM 665 CZ2 TRP A 42 -12.738 -12.564 -4.526 1.00 0.65 C ATOM 666 CZ3 TRP A 42 -10.583 -11.766 -5.158 1.00 0.70 C ATOM 667 CH2 TRP A 42 -11.853 -11.525 -4.677 1.00 0.75 C ATOM 0 H TRP A 42 -10.190 -18.285 -5.313 1.00 0.26 H new ATOM 0 HA TRP A 42 -10.761 -16.902 -7.883 1.00 0.26 H new ATOM 0 HB2 TRP A 42 -8.977 -16.344 -5.404 1.00 0.24 H new ATOM 0 HB3 TRP A 42 -9.138 -15.217 -6.736 1.00 0.24 H new ATOM 0 HD1 TRP A 42 -12.113 -17.134 -5.067 1.00 0.23 H new ATOM 0 HE1 TRP A 42 -13.760 -15.303 -4.434 1.00 0.36 H new ATOM 0 HE3 TRP A 42 -9.208 -13.239 -5.872 1.00 0.53 H new ATOM 0 HZ2 TRP A 42 -13.733 -12.379 -4.150 1.00 0.65 H new ATOM 0 HZ3 TRP A 42 -9.886 -10.949 -5.273 1.00 0.70 H new ATOM 0 HH2 TRP A 42 -12.151 -10.520 -4.419 1.00 0.75 H new ATOM 678 N ARG A 43 -8.475 -17.062 -8.933 1.00 0.21 N ATOM 679 CA ARG A 43 -7.204 -17.436 -9.640 1.00 0.24 C ATOM 680 C ARG A 43 -6.367 -16.174 -9.871 1.00 0.21 C ATOM 681 O ARG A 43 -6.817 -15.093 -9.582 1.00 0.27 O ATOM 682 CB ARG A 43 -7.519 -18.041 -11.003 1.00 0.42 C ATOM 683 CG ARG A 43 -7.059 -19.503 -11.021 1.00 0.52 C ATOM 684 CD ARG A 43 -7.353 -20.136 -12.386 1.00 0.72 C ATOM 685 NE ARG A 43 -8.817 -20.034 -12.674 1.00 1.86 N ATOM 686 CZ ARG A 43 -9.475 -21.047 -13.200 1.00 2.22 C ATOM 687 NH1 ARG A 43 -8.832 -22.119 -13.589 1.00 2.27 N ATOM 688 NH2 ARG A 43 -10.770 -20.952 -13.321 1.00 2.75 N ATOM 0 H ARG A 43 -9.081 -16.418 -9.442 1.00 0.21 H new ATOM 0 HA ARG A 43 -6.663 -18.157 -9.027 1.00 0.24 H new ATOM 0 HB2 ARG A 43 -8.589 -17.981 -11.203 1.00 0.42 H new ATOM 0 HB3 ARG A 43 -7.016 -17.479 -11.789 1.00 0.42 H new ATOM 0 HG2 ARG A 43 -5.991 -19.558 -10.809 1.00 0.52 H new ATOM 0 HG3 ARG A 43 -7.569 -20.062 -10.236 1.00 0.52 H new ATOM 0 HD2 ARG A 43 -6.782 -19.631 -13.165 1.00 0.72 H new ATOM 0 HD3 ARG A 43 -7.042 -21.181 -12.390 1.00 0.72 H new ATOM 0 HE ARG A 43 -9.313 -19.169 -12.460 1.00 1.86 H new ATOM 0 HH11 ARG A 43 -7.819 -22.172 -13.485 1.00 2.27 H new ATOM 0 HH12 ARG A 43 -9.344 -22.902 -13.996 1.00 2.27 H new ATOM 0 HH21 ARG A 43 -11.251 -20.107 -13.012 1.00 2.75 H new ATOM 0 HH22 ARG A 43 -11.302 -21.723 -13.725 1.00 2.75 H new ATOM 702 N GLY A 44 -5.167 -16.321 -10.395 1.00 0.21 N ATOM 703 CA GLY A 44 -4.305 -15.121 -10.640 1.00 0.26 C ATOM 704 C GLY A 44 -2.857 -15.415 -10.208 1.00 0.22 C ATOM 705 O GLY A 44 -2.603 -16.199 -9.313 1.00 0.20 O ATOM 0 H GLY A 44 -4.753 -17.215 -10.661 1.00 0.21 H new ATOM 0 HA2 GLY A 44 -4.331 -14.854 -11.697 1.00 0.26 H new ATOM 0 HA3 GLY A 44 -4.692 -14.266 -10.086 1.00 0.26 H new ATOM 709 N ASP A 45 -1.945 -14.792 -10.881 1.00 0.25 N ATOM 710 CA ASP A 45 -0.493 -14.987 -10.565 1.00 0.26 C ATOM 711 C ASP A 45 -0.095 -14.304 -9.255 1.00 0.40 C ATOM 712 O ASP A 45 -0.502 -13.194 -8.992 1.00 0.78 O ATOM 713 CB ASP A 45 0.325 -14.325 -11.683 1.00 0.37 C ATOM 714 CG ASP A 45 -0.607 -13.873 -12.809 1.00 2.83 C ATOM 715 OD1 ASP A 45 -1.358 -12.946 -12.552 1.00 4.28 O ATOM 716 OD2 ASP A 45 -0.511 -14.475 -13.863 1.00 4.05 O ATOM 0 H ASP A 45 -2.134 -14.146 -11.648 1.00 0.25 H new ATOM 0 HA ASP A 45 -0.306 -16.057 -10.477 1.00 0.26 H new ATOM 0 HB2 ASP A 45 0.874 -13.470 -11.287 1.00 0.37 H new ATOM 0 HB3 ASP A 45 1.064 -15.027 -12.070 1.00 0.37 H new ATOM 721 N TYR A 46 0.726 -14.970 -8.483 1.00 0.38 N ATOM 722 CA TYR A 46 1.166 -14.375 -7.186 1.00 0.53 C ATOM 723 C TYR A 46 2.684 -14.469 -7.032 1.00 0.92 C ATOM 724 O TYR A 46 3.395 -13.553 -7.397 1.00 2.85 O ATOM 725 CB TYR A 46 0.486 -15.135 -6.030 1.00 0.15 C ATOM 726 CG TYR A 46 0.895 -14.481 -4.711 1.00 0.13 C ATOM 727 CD1 TYR A 46 0.852 -13.109 -4.591 1.00 0.14 C ATOM 728 CD2 TYR A 46 1.460 -15.223 -3.682 1.00 0.16 C ATOM 729 CE1 TYR A 46 1.375 -12.483 -3.509 1.00 0.14 C ATOM 730 CE2 TYR A 46 1.988 -14.579 -2.586 1.00 0.19 C ATOM 731 CZ TYR A 46 1.950 -13.205 -2.488 1.00 0.17 C ATOM 732 OH TYR A 46 2.493 -12.563 -1.394 1.00 0.22 O ATOM 0 H TYR A 46 1.108 -15.892 -8.693 1.00 0.38 H new ATOM 0 HA TYR A 46 0.882 -13.323 -7.166 1.00 0.53 H new ATOM 0 HB2 TYR A 46 -0.598 -15.109 -6.145 1.00 0.15 H new ATOM 0 HB3 TYR A 46 0.782 -16.184 -6.040 1.00 0.15 H new ATOM 0 HD1 TYR A 46 0.393 -12.522 -5.373 1.00 0.14 H new ATOM 0 HD2 TYR A 46 1.485 -16.301 -3.741 1.00 0.16 H new ATOM 0 HE1 TYR A 46 1.340 -11.405 -3.447 1.00 0.14 H new ATOM 0 HE2 TYR A 46 2.438 -15.158 -1.793 1.00 0.19 H new ATOM 0 HH TYR A 46 2.854 -13.227 -0.771 1.00 0.22 H new ATOM 742 N GLY A 47 3.156 -15.561 -6.496 1.00 1.48 N ATOM 743 CA GLY A 47 4.631 -15.712 -6.321 1.00 1.40 C ATOM 744 C GLY A 47 5.056 -17.144 -6.640 1.00 2.51 C ATOM 745 O GLY A 47 6.191 -17.519 -6.430 1.00 4.03 O ATOM 0 H GLY A 47 2.593 -16.348 -6.174 1.00 1.48 H new ATOM 0 HA2 GLY A 47 5.155 -15.015 -6.975 1.00 1.40 H new ATOM 0 HA3 GLY A 47 4.911 -15.461 -5.298 1.00 1.40 H new ATOM 749 N GLY A 48 4.125 -17.910 -7.145 1.00 2.93 N ATOM 750 CA GLY A 48 4.432 -19.326 -7.495 1.00 3.87 C ATOM 751 C GLY A 48 4.334 -19.525 -9.007 1.00 2.53 C ATOM 752 O GLY A 48 5.333 -19.516 -9.703 1.00 2.47 O ATOM 0 H GLY A 48 3.166 -17.615 -7.330 1.00 2.93 H new ATOM 0 HA2 GLY A 48 5.433 -19.585 -7.150 1.00 3.87 H new ATOM 0 HA3 GLY A 48 3.737 -19.994 -6.986 1.00 3.87 H new ATOM 756 N LYS A 49 3.124 -19.696 -9.478 1.00 1.94 N ATOM 757 CA LYS A 49 2.915 -19.898 -10.940 1.00 0.75 C ATOM 758 C LYS A 49 1.958 -18.852 -11.501 1.00 0.81 C ATOM 759 O LYS A 49 1.671 -17.867 -10.849 1.00 1.61 O ATOM 760 CB LYS A 49 2.304 -21.286 -11.152 1.00 1.71 C ATOM 761 CG LYS A 49 3.395 -22.364 -11.046 1.00 1.70 C ATOM 762 CD LYS A 49 2.928 -23.629 -11.770 1.00 1.54 C ATOM 763 CE LYS A 49 3.474 -23.628 -13.204 1.00 2.46 C ATOM 764 NZ LYS A 49 4.966 -23.665 -13.202 1.00 1.58 N ATOM 0 H LYS A 49 2.275 -19.704 -8.913 1.00 1.94 H new ATOM 0 HA LYS A 49 3.873 -19.806 -11.452 1.00 0.75 H new ATOM 0 HB2 LYS A 49 1.528 -21.468 -10.408 1.00 1.71 H new ATOM 0 HB3 LYS A 49 1.826 -21.336 -12.130 1.00 1.71 H new ATOM 0 HG2 LYS A 49 4.324 -22.002 -11.486 1.00 1.70 H new ATOM 0 HG3 LYS A 49 3.603 -22.586 -9.999 1.00 1.70 H new ATOM 0 HD2 LYS A 49 3.275 -24.515 -11.238 1.00 1.54 H new ATOM 0 HD3 LYS A 49 1.839 -23.672 -11.784 1.00 1.54 H new ATOM 0 HE2 LYS A 49 3.085 -24.489 -13.747 1.00 2.46 H new ATOM 0 HE3 LYS A 49 3.128 -22.738 -13.729 1.00 2.46 H new ATOM 0 HZ1 LYS A 49 5.301 -24.185 -14.038 1.00 1.58 H new ATOM 0 HZ2 LYS A 49 5.337 -22.694 -13.226 1.00 1.58 H new ATOM 0 HZ3 LYS A 49 5.300 -24.142 -12.341 1.00 1.58 H new ATOM 778 N LYS A 50 1.478 -19.085 -12.700 1.00 0.53 N ATOM 779 CA LYS A 50 0.539 -18.111 -13.314 1.00 0.47 C ATOM 780 C LYS A 50 -0.919 -18.542 -13.191 1.00 0.37 C ATOM 781 O LYS A 50 -1.443 -19.213 -14.054 1.00 0.49 O ATOM 782 CB LYS A 50 0.867 -17.964 -14.804 1.00 0.58 C ATOM 783 CG LYS A 50 0.112 -16.747 -15.364 1.00 0.83 C ATOM 784 CD LYS A 50 -0.243 -17.002 -16.833 1.00 0.91 C ATOM 785 CE LYS A 50 -0.786 -15.710 -17.452 1.00 1.41 C ATOM 786 NZ LYS A 50 0.241 -15.078 -18.329 1.00 1.97 N ATOM 0 H LYS A 50 1.697 -19.902 -13.270 1.00 0.53 H new ATOM 0 HA LYS A 50 0.662 -17.169 -12.779 1.00 0.47 H new ATOM 0 HB2 LYS A 50 1.941 -17.838 -14.943 1.00 0.58 H new ATOM 0 HB3 LYS A 50 0.580 -18.866 -15.344 1.00 0.58 H new ATOM 0 HG2 LYS A 50 -0.794 -16.569 -14.785 1.00 0.83 H new ATOM 0 HG3 LYS A 50 0.727 -15.851 -15.277 1.00 0.83 H new ATOM 0 HD2 LYS A 50 0.638 -17.339 -17.379 1.00 0.91 H new ATOM 0 HD3 LYS A 50 -0.987 -17.795 -16.907 1.00 0.91 H new ATOM 0 HE2 LYS A 50 -1.683 -15.927 -18.031 1.00 1.41 H new ATOM 0 HE3 LYS A 50 -1.076 -15.016 -16.663 1.00 1.41 H new ATOM 0 HZ1 LYS A 50 -0.144 -14.204 -18.740 1.00 1.97 H new ATOM 0 HZ2 LYS A 50 1.087 -14.853 -17.767 1.00 1.97 H new ATOM 0 HZ3 LYS A 50 0.498 -15.736 -19.093 1.00 1.97 H new ATOM 800 N GLN A 51 -1.516 -18.143 -12.105 1.00 0.25 N ATOM 801 CA GLN A 51 -2.950 -18.468 -11.825 1.00 0.22 C ATOM 802 C GLN A 51 -3.150 -19.810 -11.143 1.00 0.20 C ATOM 803 O GLN A 51 -3.236 -20.839 -11.783 1.00 0.36 O ATOM 804 CB GLN A 51 -3.791 -18.458 -13.119 1.00 0.38 C ATOM 805 CG GLN A 51 -3.415 -17.253 -13.991 1.00 0.53 C ATOM 806 CD GLN A 51 -4.691 -16.475 -14.341 1.00 0.79 C ATOM 807 OE1 GLN A 51 -4.726 -15.262 -14.289 1.00 2.15 O ATOM 808 NE2 GLN A 51 -5.758 -17.136 -14.695 1.00 2.10 N ATOM 0 H GLN A 51 -1.062 -17.590 -11.378 1.00 0.25 H new ATOM 0 HA GLN A 51 -3.283 -17.686 -11.142 1.00 0.22 H new ATOM 0 HB2 GLN A 51 -3.627 -19.382 -13.674 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -4.852 -18.419 -12.871 1.00 0.38 H new ATOM 0 HG2 GLN A 51 -2.714 -16.608 -13.461 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -2.916 -17.587 -14.901 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -5.735 -18.155 -14.741 1.00 2.10 H new ATOM 0 HE22 GLN A 51 -6.615 -16.634 -14.926 1.00 2.10 H new ATOM 817 N LEU A 52 -3.227 -19.750 -9.843 1.00 0.20 N ATOM 818 CA LEU A 52 -3.431 -20.979 -9.043 1.00 0.18 C ATOM 819 C LEU A 52 -4.750 -20.812 -8.300 1.00 0.24 C ATOM 820 O LEU A 52 -5.780 -20.817 -8.936 1.00 0.35 O ATOM 821 CB LEU A 52 -2.244 -21.160 -8.078 1.00 0.04 C ATOM 822 CG LEU A 52 -0.954 -21.302 -8.911 1.00 0.23 C ATOM 823 CD1 LEU A 52 0.230 -21.525 -7.965 1.00 0.32 C ATOM 824 CD2 LEU A 52 -1.089 -22.486 -9.882 1.00 0.62 C ATOM 0 H LEU A 52 -3.156 -18.890 -9.299 1.00 0.20 H new ATOM 0 HA LEU A 52 -3.477 -21.872 -9.666 1.00 0.18 H new ATOM 0 HB2 LEU A 52 -2.169 -20.305 -7.406 1.00 0.04 H new ATOM 0 HB3 LEU A 52 -2.393 -22.043 -7.456 1.00 0.04 H new ATOM 0 HG LEU A 52 -0.787 -20.394 -9.491 1.00 0.23 H new ATOM 0 HD11 LEU A 52 1.146 -21.626 -8.547 1.00 0.32 H new ATOM 0 HD12 LEU A 52 0.321 -20.674 -7.290 1.00 0.32 H new ATOM 0 HD13 LEU A 52 0.066 -22.433 -7.385 1.00 0.32 H new ATOM 0 HD21 LEU A 52 -0.175 -22.582 -10.468 1.00 0.62 H new ATOM 0 HD22 LEU A 52 -1.256 -23.403 -9.317 1.00 0.62 H new ATOM 0 HD23 LEU A 52 -1.932 -22.314 -10.551 1.00 0.62 H new ATOM 836 N TRP A 53 -4.741 -20.673 -7.002 1.00 0.25 N ATOM 837 CA TRP A 53 -6.069 -20.511 -6.344 1.00 0.32 C ATOM 838 C TRP A 53 -6.061 -19.825 -4.991 1.00 0.36 C ATOM 839 O TRP A 53 -5.149 -19.972 -4.206 1.00 0.45 O ATOM 840 CB TRP A 53 -6.635 -21.887 -6.114 1.00 0.49 C ATOM 841 CG TRP A 53 -7.134 -22.411 -7.433 1.00 0.55 C ATOM 842 CD1 TRP A 53 -6.512 -23.381 -8.087 1.00 0.66 C ATOM 843 CD2 TRP A 53 -8.134 -21.907 -8.153 1.00 0.54 C ATOM 844 NE1 TRP A 53 -7.181 -23.448 -9.243 1.00 0.72 N ATOM 845 CE2 TRP A 53 -8.204 -22.561 -9.370 1.00 0.64 C ATOM 846 CE3 TRP A 53 -8.998 -20.850 -7.888 1.00 0.45 C ATOM 847 CZ2 TRP A 53 -9.128 -22.166 -10.315 1.00 0.66 C ATOM 848 CZ3 TRP A 53 -9.913 -20.452 -8.847 1.00 0.42 C ATOM 849 CH2 TRP A 53 -9.973 -21.113 -10.054 1.00 0.53 C ATOM 0 H TRP A 53 -3.921 -20.664 -6.396 1.00 0.25 H new ATOM 0 HA TRP A 53 -6.648 -19.876 -7.015 1.00 0.32 H new ATOM 0 HB2 TRP A 53 -5.872 -22.549 -5.705 1.00 0.49 H new ATOM 0 HB3 TRP A 53 -7.447 -21.849 -5.388 1.00 0.49 H new ATOM 0 HD1 TRP A 53 -5.669 -23.974 -7.765 1.00 0.66 H new ATOM 0 HE1 TRP A 53 -6.941 -24.116 -9.976 1.00 0.72 H new ATOM 0 HE3 TRP A 53 -8.955 -20.341 -6.936 1.00 0.45 H new ATOM 0 HZ2 TRP A 53 -9.188 -22.684 -11.261 1.00 0.66 H new ATOM 0 HZ3 TRP A 53 -10.579 -19.625 -8.649 1.00 0.42 H new ATOM 0 HH2 TRP A 53 -10.689 -20.802 -10.801 1.00 0.53 H new ATOM 860 N PHE A 54 -7.091 -19.053 -4.762 1.00 0.30 N ATOM 861 CA PHE A 54 -7.198 -18.343 -3.466 1.00 0.38 C ATOM 862 C PHE A 54 -8.677 -18.351 -3.029 1.00 0.32 C ATOM 863 O PHE A 54 -9.526 -17.853 -3.737 1.00 0.33 O ATOM 864 CB PHE A 54 -6.741 -16.862 -3.540 1.00 0.40 C ATOM 865 CG PHE A 54 -6.109 -16.504 -4.857 1.00 0.30 C ATOM 866 CD1 PHE A 54 -5.003 -17.178 -5.300 1.00 0.27 C ATOM 867 CD2 PHE A 54 -6.656 -15.502 -5.635 1.00 0.27 C ATOM 868 CE1 PHE A 54 -4.456 -16.880 -6.510 1.00 0.17 C ATOM 869 CE2 PHE A 54 -6.119 -15.200 -6.833 1.00 0.21 C ATOM 870 CZ PHE A 54 -5.008 -15.895 -7.284 1.00 0.13 C ATOM 0 H PHE A 54 -7.856 -18.888 -5.416 1.00 0.30 H new ATOM 0 HA PHE A 54 -6.546 -18.861 -2.762 1.00 0.38 H new ATOM 0 HB2 PHE A 54 -7.600 -16.214 -3.368 1.00 0.40 H new ATOM 0 HB3 PHE A 54 -6.029 -16.667 -2.738 1.00 0.40 H new ATOM 0 HD1 PHE A 54 -4.562 -17.950 -4.686 1.00 0.27 H new ATOM 0 HD2 PHE A 54 -7.519 -14.958 -5.281 1.00 0.27 H new ATOM 0 HE1 PHE A 54 -3.588 -17.420 -6.859 1.00 0.17 H new ATOM 0 HE2 PHE A 54 -6.553 -14.419 -7.440 1.00 0.21 H new ATOM 0 HZ PHE A 54 -4.578 -15.659 -8.246 1.00 0.13 H new ATOM 880 N PRO A 55 -8.977 -18.921 -1.882 1.00 0.29 N ATOM 881 CA PRO A 55 -10.367 -18.973 -1.393 1.00 0.30 C ATOM 882 C PRO A 55 -11.056 -17.627 -1.358 1.00 0.35 C ATOM 883 O PRO A 55 -10.469 -16.625 -1.012 1.00 0.61 O ATOM 884 CB PRO A 55 -10.235 -19.430 0.046 1.00 0.32 C ATOM 885 CG PRO A 55 -8.800 -20.007 0.221 1.00 0.32 C ATOM 886 CD PRO A 55 -7.986 -19.509 -0.954 1.00 0.34 C ATOM 0 HA PRO A 55 -10.956 -19.613 -2.050 1.00 0.30 H new ATOM 0 HB2 PRO A 55 -10.400 -18.597 0.730 1.00 0.32 H new ATOM 0 HB3 PRO A 55 -10.984 -20.187 0.279 1.00 0.32 H new ATOM 0 HG2 PRO A 55 -8.362 -19.677 1.163 1.00 0.32 H new ATOM 0 HG3 PRO A 55 -8.821 -21.097 0.244 1.00 0.32 H new ATOM 0 HD2 PRO A 55 -7.251 -18.768 -0.640 1.00 0.34 H new ATOM 0 HD3 PRO A 55 -7.436 -20.323 -1.427 1.00 0.34 H new ATOM 894 N SER A 56 -12.311 -17.655 -1.699 1.00 0.20 N ATOM 895 CA SER A 56 -13.108 -16.416 -1.696 1.00 0.22 C ATOM 896 C SER A 56 -13.522 -16.247 -0.253 1.00 0.25 C ATOM 897 O SER A 56 -14.327 -15.411 0.112 1.00 0.30 O ATOM 898 CB SER A 56 -14.352 -16.612 -2.579 1.00 0.20 C ATOM 899 OG SER A 56 -15.264 -17.316 -1.749 1.00 0.20 O ATOM 0 H SER A 56 -12.817 -18.494 -1.981 1.00 0.20 H new ATOM 0 HA SER A 56 -12.562 -15.553 -2.078 1.00 0.22 H new ATOM 0 HB2 SER A 56 -14.765 -15.656 -2.903 1.00 0.20 H new ATOM 0 HB3 SER A 56 -14.115 -17.178 -3.480 1.00 0.20 H new ATOM 0 HG SER A 56 -16.094 -17.482 -2.242 1.00 0.20 H new ATOM 905 N ASN A 57 -12.911 -17.100 0.533 1.00 0.25 N ATOM 906 CA ASN A 57 -13.139 -17.142 1.972 1.00 0.31 C ATOM 907 C ASN A 57 -11.875 -16.630 2.627 1.00 0.33 C ATOM 908 O ASN A 57 -11.825 -16.416 3.823 1.00 0.38 O ATOM 909 CB ASN A 57 -13.354 -18.620 2.370 1.00 0.31 C ATOM 910 CG ASN A 57 -14.848 -18.867 2.621 1.00 0.43 C ATOM 911 OD1 ASN A 57 -15.692 -18.088 2.230 1.00 0.33 O ATOM 912 ND2 ASN A 57 -15.216 -19.944 3.258 1.00 1.37 N ATOM 0 H ASN A 57 -12.238 -17.790 0.200 1.00 0.25 H new ATOM 0 HA ASN A 57 -14.001 -16.547 2.272 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -12.993 -19.277 1.579 1.00 0.31 H new ATOM 0 HB3 ASN A 57 -12.780 -18.854 3.266 1.00 0.31 H new ATOM 0 HD21 ASN A 57 -16.206 -20.125 3.424 1.00 1.37 H new ATOM 0 HD22 ASN A 57 -14.514 -20.605 3.591 1.00 1.37 H new ATOM 919 N TYR A 58 -10.863 -16.451 1.795 1.00 0.31 N ATOM 920 CA TYR A 58 -9.564 -15.951 2.320 1.00 0.36 C ATOM 921 C TYR A 58 -9.116 -14.620 1.678 1.00 0.43 C ATOM 922 O TYR A 58 -8.386 -13.867 2.293 1.00 0.84 O ATOM 923 CB TYR A 58 -8.451 -16.976 2.004 1.00 0.29 C ATOM 924 CG TYR A 58 -8.371 -18.118 3.051 1.00 0.25 C ATOM 925 CD1 TYR A 58 -9.419 -19.033 3.258 1.00 0.25 C ATOM 926 CD2 TYR A 58 -7.211 -18.269 3.796 1.00 0.36 C ATOM 927 CE1 TYR A 58 -9.288 -20.037 4.197 1.00 0.39 C ATOM 928 CE2 TYR A 58 -7.097 -19.282 4.727 1.00 0.56 C ATOM 929 CZ TYR A 58 -8.131 -20.170 4.934 1.00 0.58 C ATOM 930 OH TYR A 58 -8.013 -21.178 5.869 1.00 0.80 O ATOM 0 H TYR A 58 -10.891 -16.630 0.791 1.00 0.31 H new ATOM 0 HA TYR A 58 -9.714 -15.800 3.389 1.00 0.36 H new ATOM 0 HB2 TYR A 58 -8.628 -17.405 1.018 1.00 0.29 H new ATOM 0 HB3 TYR A 58 -7.491 -16.461 1.960 1.00 0.29 H new ATOM 0 HD1 TYR A 58 -10.328 -18.950 2.681 1.00 0.25 H new ATOM 0 HD2 TYR A 58 -6.388 -17.586 3.646 1.00 0.36 H new ATOM 0 HE1 TYR A 58 -10.103 -20.727 4.356 1.00 0.39 H new ATOM 0 HE2 TYR A 58 -6.187 -19.380 5.300 1.00 0.56 H new ATOM 0 HH TYR A 58 -7.133 -21.126 6.296 1.00 0.80 H new ATOM 940 N VAL A 59 -9.553 -14.349 0.468 1.00 0.38 N ATOM 941 CA VAL A 59 -9.134 -13.071 -0.204 1.00 0.37 C ATOM 942 C VAL A 59 -10.258 -12.054 -0.436 1.00 0.33 C ATOM 943 O VAL A 59 -11.406 -12.278 -0.109 1.00 0.32 O ATOM 944 CB VAL A 59 -8.614 -13.472 -1.579 1.00 0.49 C ATOM 945 CG1 VAL A 59 -7.512 -14.512 -1.390 1.00 0.58 C ATOM 946 CG2 VAL A 59 -9.783 -14.058 -2.395 1.00 0.58 C ATOM 0 H VAL A 59 -10.173 -14.947 -0.078 1.00 0.38 H new ATOM 0 HA VAL A 59 -8.410 -12.585 0.451 1.00 0.37 H new ATOM 0 HB VAL A 59 -8.207 -12.613 -2.113 1.00 0.49 H new ATOM 0 HG11 VAL A 59 -7.125 -14.813 -2.364 1.00 0.58 H new ATOM 0 HG12 VAL A 59 -6.705 -14.083 -0.796 1.00 0.58 H new ATOM 0 HG13 VAL A 59 -7.918 -15.383 -0.876 1.00 0.58 H new ATOM 0 HG21 VAL A 59 -9.427 -14.350 -3.383 1.00 0.58 H new ATOM 0 HG22 VAL A 59 -10.184 -14.932 -1.881 1.00 0.58 H new ATOM 0 HG23 VAL A 59 -10.566 -13.307 -2.499 1.00 0.58 H new ATOM 956 N GLU A 60 -9.862 -10.942 -1.023 1.00 0.37 N ATOM 957 CA GLU A 60 -10.819 -9.837 -1.332 1.00 0.37 C ATOM 958 C GLU A 60 -10.234 -8.958 -2.449 1.00 0.58 C ATOM 959 O GLU A 60 -9.091 -8.560 -2.382 1.00 0.67 O ATOM 960 CB GLU A 60 -11.024 -8.982 -0.073 1.00 0.42 C ATOM 961 CG GLU A 60 -12.520 -8.904 0.257 1.00 0.47 C ATOM 962 CD GLU A 60 -12.759 -7.760 1.245 1.00 1.18 C ATOM 963 OE1 GLU A 60 -11.916 -7.609 2.114 1.00 0.84 O ATOM 964 OE2 GLU A 60 -13.771 -7.102 1.073 1.00 2.75 O ATOM 0 H GLU A 60 -8.899 -10.757 -1.303 1.00 0.37 H new ATOM 0 HA GLU A 60 -11.773 -10.255 -1.654 1.00 0.37 H new ATOM 0 HB2 GLU A 60 -10.478 -9.414 0.766 1.00 0.42 H new ATOM 0 HB3 GLU A 60 -10.623 -7.981 -0.232 1.00 0.42 H new ATOM 0 HG2 GLU A 60 -13.097 -8.741 -0.653 1.00 0.47 H new ATOM 0 HG3 GLU A 60 -12.860 -9.847 0.685 1.00 0.47 H new ATOM 971 N GLU A 61 -11.036 -8.662 -3.443 1.00 0.67 N ATOM 972 CA GLU A 61 -10.545 -7.817 -4.578 1.00 0.94 C ATOM 973 C GLU A 61 -10.162 -6.384 -4.177 1.00 1.04 C ATOM 974 O GLU A 61 -10.832 -5.441 -4.545 1.00 1.29 O ATOM 975 CB GLU A 61 -11.650 -7.741 -5.640 1.00 1.14 C ATOM 976 CG GLU A 61 -12.986 -7.441 -4.963 1.00 1.29 C ATOM 977 CD GLU A 61 -13.977 -6.922 -6.010 1.00 2.34 C ATOM 978 OE1 GLU A 61 -13.622 -6.993 -7.175 1.00 0.90 O ATOM 979 OE2 GLU A 61 -15.035 -6.485 -5.586 1.00 4.68 O ATOM 0 H GLU A 61 -12.006 -8.968 -3.518 1.00 0.67 H new ATOM 0 HA GLU A 61 -9.637 -8.292 -4.949 1.00 0.94 H new ATOM 0 HB2 GLU A 61 -11.417 -6.964 -6.368 1.00 1.14 H new ATOM 0 HB3 GLU A 61 -11.710 -8.682 -6.186 1.00 1.14 H new ATOM 0 HG2 GLU A 61 -13.377 -8.341 -4.489 1.00 1.29 H new ATOM 0 HG3 GLU A 61 -12.850 -6.700 -4.175 1.00 1.29 H new ATOM 986 N MET A 62 -9.087 -6.265 -3.439 1.00 0.88 N ATOM 987 CA MET A 62 -8.595 -4.930 -2.983 1.00 1.06 C ATOM 988 C MET A 62 -9.709 -3.911 -2.794 1.00 1.41 C ATOM 989 O MET A 62 -10.203 -3.330 -3.742 1.00 1.72 O ATOM 990 CB MET A 62 -7.617 -4.393 -4.041 1.00 1.33 C ATOM 991 CG MET A 62 -6.185 -4.771 -3.652 1.00 1.16 C ATOM 992 SD MET A 62 -4.852 -4.242 -4.754 1.00 1.47 S ATOM 993 CE MET A 62 -3.566 -4.104 -3.489 1.00 0.37 C ATOM 0 H MET A 62 -8.519 -7.053 -3.128 1.00 0.88 H new ATOM 0 HA MET A 62 -8.120 -5.070 -2.012 1.00 1.06 H new ATOM 0 HB2 MET A 62 -7.860 -4.807 -5.020 1.00 1.33 H new ATOM 0 HB3 MET A 62 -7.710 -3.310 -4.121 1.00 1.33 H new ATOM 0 HG2 MET A 62 -5.986 -4.360 -2.662 1.00 1.16 H new ATOM 0 HG3 MET A 62 -6.136 -5.856 -3.562 1.00 1.16 H new ATOM 0 HE1 MET A 62 -2.592 -4.011 -3.969 1.00 0.37 H new ATOM 0 HE2 MET A 62 -3.753 -3.223 -2.875 1.00 0.37 H new ATOM 0 HE3 MET A 62 -3.577 -4.994 -2.860 1.00 0.37 H new ATOM 1003 N VAL A 63 -10.075 -3.707 -1.565 1.00 1.44 N ATOM 1004 CA VAL A 63 -11.157 -2.723 -1.281 1.00 1.84 C ATOM 1005 C VAL A 63 -10.618 -1.296 -1.323 1.00 2.05 C ATOM 1006 O VAL A 63 -11.103 -0.407 -0.653 1.00 2.29 O ATOM 1007 CB VAL A 63 -11.707 -3.001 0.106 1.00 1.94 C ATOM 1008 CG1 VAL A 63 -12.909 -2.091 0.375 1.00 2.35 C ATOM 1009 CG2 VAL A 63 -12.151 -4.465 0.203 1.00 1.93 C ATOM 0 H VAL A 63 -9.678 -4.172 -0.749 1.00 1.44 H new ATOM 0 HA VAL A 63 -11.936 -2.822 -2.037 1.00 1.84 H new ATOM 0 HB VAL A 63 -10.929 -2.807 0.844 1.00 1.94 H new ATOM 0 HG11 VAL A 63 -13.302 -2.293 1.371 1.00 2.35 H new ATOM 0 HG12 VAL A 63 -12.597 -1.048 0.312 1.00 2.35 H new ATOM 0 HG13 VAL A 63 -13.684 -2.283 -0.367 1.00 2.35 H new ATOM 0 HG21 VAL A 63 -12.545 -4.660 1.200 1.00 1.93 H new ATOM 0 HG22 VAL A 63 -12.926 -4.660 -0.538 1.00 1.93 H new ATOM 0 HG23 VAL A 63 -11.298 -5.117 0.016 1.00 1.93 H new ATOM 1019 N ASN A 64 -9.611 -1.149 -2.114 1.00 1.97 N ATOM 1020 CA ASN A 64 -8.935 0.175 -2.303 1.00 2.19 C ATOM 1021 C ASN A 64 -8.259 0.729 -1.033 1.00 1.26 C ATOM 1022 O ASN A 64 -8.830 1.539 -0.332 1.00 2.22 O ATOM 1023 CB ASN A 64 -9.999 1.181 -2.751 1.00 3.86 C ATOM 1024 CG ASN A 64 -10.907 0.523 -3.793 1.00 6.35 C ATOM 1025 OD1 ASN A 64 -11.941 -0.160 -3.389 1.00 7.77 O flip ATOM 1026 ND2 ASN A 64 -10.682 0.626 -4.983 1.00 7.39 N flip ATOM 0 H ASN A 64 -9.205 -1.908 -2.661 1.00 1.97 H new ATOM 0 HA ASN A 64 -8.144 0.027 -3.038 1.00 2.19 H new ATOM 0 HB2 ASN A 64 -10.588 1.511 -1.895 1.00 3.86 H new ATOM 0 HB3 ASN A 64 -9.524 2.067 -3.172 1.00 3.86 H new ATOM 0 HD21 ASN A 64 -9.874 1.159 -5.305 1.00 7.39 H new ATOM 0 HD22 ASN A 64 -11.301 0.179 -5.660 1.00 7.39 H new ATOM 1033 N PRO A 65 -7.044 0.283 -0.766 1.00 3.77 N ATOM 1034 CA PRO A 65 -6.286 0.735 0.410 1.00 5.76 C ATOM 1035 C PRO A 65 -5.742 2.149 0.160 1.00 5.24 C ATOM 1036 O PRO A 65 -6.417 2.986 -0.405 1.00 3.22 O ATOM 1037 CB PRO A 65 -5.144 -0.313 0.546 1.00 8.34 C ATOM 1038 CG PRO A 65 -5.201 -1.227 -0.696 1.00 8.30 C ATOM 1039 CD PRO A 65 -6.348 -0.727 -1.579 1.00 5.77 C ATOM 0 HA PRO A 65 -6.882 0.798 1.321 1.00 5.76 H new ATOM 0 HB2 PRO A 65 -4.175 0.182 0.613 1.00 8.34 H new ATOM 0 HB3 PRO A 65 -5.267 -0.897 1.458 1.00 8.34 H new ATOM 0 HG2 PRO A 65 -4.257 -1.196 -1.239 1.00 8.30 H new ATOM 0 HG3 PRO A 65 -5.366 -2.264 -0.403 1.00 8.30 H new ATOM 0 HD2 PRO A 65 -5.972 -0.296 -2.507 1.00 5.77 H new ATOM 0 HD3 PRO A 65 -7.018 -1.542 -1.854 1.00 5.77 H new ATOM 1047 N GLU A 66 -4.551 2.381 0.593 1.00 7.23 N ATOM 1048 CA GLU A 66 -3.927 3.722 0.400 1.00 6.97 C ATOM 1049 C GLU A 66 -3.235 3.829 -0.963 1.00 5.85 C ATOM 1050 O GLU A 66 -3.514 3.061 -1.862 1.00 4.43 O ATOM 1051 CB GLU A 66 -2.873 3.927 1.492 1.00 7.44 C ATOM 1052 CG GLU A 66 -3.204 3.045 2.700 1.00 9.20 C ATOM 1053 CD GLU A 66 -2.469 3.583 3.929 1.00 9.57 C ATOM 1054 OE1 GLU A 66 -1.258 3.692 3.829 1.00 10.37 O ATOM 1055 OE2 GLU A 66 -3.159 3.858 4.896 1.00 9.11 O ATOM 0 H GLU A 66 -3.968 1.699 1.079 1.00 7.23 H new ATOM 0 HA GLU A 66 -4.711 4.478 0.451 1.00 6.97 H new ATOM 0 HB2 GLU A 66 -1.884 3.678 1.108 1.00 7.44 H new ATOM 0 HB3 GLU A 66 -2.844 4.975 1.791 1.00 7.44 H new ATOM 0 HG2 GLU A 66 -4.279 3.039 2.878 1.00 9.20 H new ATOM 0 HG3 GLU A 66 -2.907 2.014 2.506 1.00 9.20 H new ATOM 1062 N GLY A 67 -2.342 4.786 -1.081 1.00 6.57 N ATOM 1063 CA GLY A 67 -1.608 4.977 -2.371 1.00 5.67 C ATOM 1064 C GLY A 67 -0.095 4.839 -2.162 1.00 7.07 C ATOM 1065 O GLY A 67 0.350 3.998 -1.410 1.00 9.19 O ATOM 0 H GLY A 67 -2.092 5.441 -0.340 1.00 6.57 H new ATOM 0 HA2 GLY A 67 -1.948 4.241 -3.100 1.00 5.67 H new ATOM 0 HA3 GLY A 67 -1.835 5.961 -2.781 1.00 5.67 H new ATOM 1069 N ILE A 68 0.657 5.673 -2.841 1.00 6.04 N ATOM 1070 CA ILE A 68 2.145 5.620 -2.708 1.00 7.33 C ATOM 1071 C ILE A 68 2.693 6.988 -2.294 1.00 8.51 C ATOM 1072 O ILE A 68 1.955 7.942 -2.151 1.00 8.71 O ATOM 1073 CB ILE A 68 2.756 5.259 -4.083 1.00 5.74 C ATOM 1074 CG1 ILE A 68 1.818 4.363 -4.907 1.00 5.61 C ATOM 1075 CG2 ILE A 68 4.106 4.527 -3.896 1.00 7.48 C ATOM 1076 CD1 ILE A 68 1.600 3.009 -4.218 1.00 5.79 C ATOM 0 H ILE A 68 0.304 6.386 -3.480 1.00 6.04 H new ATOM 0 HA ILE A 68 2.404 4.877 -1.953 1.00 7.33 H new ATOM 0 HB ILE A 68 2.907 6.195 -4.621 1.00 5.74 H new ATOM 0 HG12 ILE A 68 0.859 4.863 -5.044 1.00 5.61 H new ATOM 0 HG13 ILE A 68 2.240 4.206 -5.900 1.00 5.61 H new ATOM 0 HG21 ILE A 68 4.524 4.279 -4.872 1.00 7.48 H new ATOM 0 HG22 ILE A 68 4.799 5.174 -3.358 1.00 7.48 H new ATOM 0 HG23 ILE A 68 3.948 3.611 -3.326 1.00 7.48 H new ATOM 0 HD11 ILE A 68 0.932 2.396 -4.823 1.00 5.79 H new ATOM 0 HD12 ILE A 68 2.557 2.500 -4.105 1.00 5.79 H new ATOM 0 HD13 ILE A 68 1.155 3.168 -3.236 1.00 5.79 H new ATOM 1088 N HIS A 69 3.983 7.043 -2.108 1.00 9.92 N ATOM 1089 CA HIS A 69 4.635 8.318 -1.707 1.00 11.46 C ATOM 1090 C HIS A 69 6.087 8.310 -2.192 1.00 10.92 C ATOM 1091 O HIS A 69 6.804 7.360 -1.955 1.00 10.66 O ATOM 1092 CB HIS A 69 4.612 8.432 -0.174 1.00 14.10 C ATOM 1093 CG HIS A 69 5.120 9.820 0.228 1.00 14.85 C ATOM 1094 ND1 HIS A 69 6.339 10.172 0.244 1.00 16.10 N ATOM 1095 CD2 HIS A 69 4.421 10.952 0.615 1.00 14.60 C ATOM 1096 CE1 HIS A 69 6.453 11.398 0.597 1.00 16.60 C ATOM 1097 NE2 HIS A 69 5.281 11.958 0.848 1.00 15.56 N ATOM 0 H HIS A 69 4.617 6.252 -2.218 1.00 9.92 H new ATOM 0 HA HIS A 69 4.105 9.163 -2.147 1.00 11.46 H new ATOM 0 HB2 HIS A 69 3.600 8.278 0.200 1.00 14.10 H new ATOM 0 HB3 HIS A 69 5.238 7.658 0.271 1.00 14.10 H new ATOM 0 HD2 HIS A 69 3.347 11.016 0.714 1.00 14.60 H new ATOM 0 HE1 HIS A 69 7.397 11.915 0.680 1.00 16.60 H new ATOM 0 HE2 HIS A 69 5.081 12.913 1.144 1.00 15.56 H new ATOM 1105 N ARG A 70 6.500 9.352 -2.869 1.00 11.14 N ATOM 1106 CA ARG A 70 7.911 9.367 -3.354 1.00 10.63 C ATOM 1107 C ARG A 70 8.483 10.788 -3.475 1.00 11.56 C ATOM 1108 O ARG A 70 9.187 11.244 -2.597 1.00 12.77 O ATOM 1109 CB ARG A 70 7.945 8.688 -4.734 1.00 9.79 C ATOM 1110 CG ARG A 70 9.394 8.340 -5.080 1.00 9.02 C ATOM 1111 CD ARG A 70 9.670 6.898 -4.651 1.00 8.12 C ATOM 1112 NE ARG A 70 11.142 6.682 -4.606 1.00 7.60 N ATOM 1113 CZ ARG A 70 11.624 5.712 -3.878 1.00 7.24 C ATOM 1114 NH1 ARG A 70 10.796 4.858 -3.342 1.00 7.26 N ATOM 1115 NH2 ARG A 70 12.916 5.632 -3.711 1.00 7.17 N ATOM 0 H ARG A 70 5.938 10.171 -3.101 1.00 11.14 H new ATOM 0 HA ARG A 70 8.527 8.838 -2.627 1.00 10.63 H new ATOM 0 HB2 ARG A 70 7.333 7.786 -4.726 1.00 9.79 H new ATOM 0 HB3 ARG A 70 7.526 9.351 -5.491 1.00 9.79 H new ATOM 0 HG2 ARG A 70 9.564 8.455 -6.150 1.00 9.02 H new ATOM 0 HG3 ARG A 70 10.077 9.022 -4.574 1.00 9.02 H new ATOM 0 HD2 ARG A 70 9.231 6.705 -3.672 1.00 8.12 H new ATOM 0 HD3 ARG A 70 9.208 6.202 -5.351 1.00 8.12 H new ATOM 0 HE ARG A 70 11.768 7.286 -5.139 1.00 7.60 H new ATOM 0 HH11 ARG A 70 9.792 4.956 -3.495 1.00 7.26 H new ATOM 0 HH12 ARG A 70 11.152 4.093 -2.770 1.00 7.26 H new ATOM 0 HH21 ARG A 70 13.530 6.321 -4.146 1.00 7.17 H new ATOM 0 HH22 ARG A 70 13.312 4.881 -3.145 1.00 7.17 H new ATOM 1129 N ASP A 71 8.179 11.456 -4.562 1.00 11.18 N ATOM 1130 CA ASP A 71 8.699 12.843 -4.756 1.00 12.07 C ATOM 1131 C ASP A 71 10.224 12.874 -4.687 1.00 14.19 C ATOM 1132 O ASP A 71 10.713 13.173 -3.609 1.00 15.76 O ATOM 1133 CB ASP A 71 8.137 13.754 -3.655 1.00 13.10 C ATOM 1134 CG ASP A 71 8.543 15.200 -3.950 1.00 12.23 C ATOM 1135 OD1 ASP A 71 9.632 15.553 -3.527 1.00 12.64 O ATOM 1136 OD2 ASP A 71 7.744 15.869 -4.585 1.00 11.27 O ATOM 1137 OXT ASP A 71 10.817 12.602 -5.719 1.00 14.28 O ATOM 0 H ASP A 71 7.595 11.101 -5.320 1.00 11.18 H new ATOM 0 HA ASP A 71 8.385 13.190 -5.740 1.00 12.07 H new ATOM 0 HB2 ASP A 71 7.051 13.669 -3.614 1.00 13.10 H new ATOM 0 HB3 ASP A 71 8.518 13.447 -2.681 1.00 13.10 H new TER 1142 ASP A 71